Mercurial > repos > galaxyp > peptideshaker
annotate peptide_shaker.xml @ 44:f35bb9d0c93e draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
author | galaxyp |
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date | Tue, 20 Mar 2018 05:09:36 -0400 |
parents | 79e37eff006d |
children | 5fa8b409599e |
rev | line source |
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f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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1 <tool id="peptide_shaker" name="Peptide Shaker" version="1.16.17"> |
18 | 2 <description> |
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2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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3 Perform protein identification using various search engines based on results from SearchGUI |
18 | 4 </description> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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5 <macros> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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6 <import>macros.xml</import> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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7 </macros> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 327a3944f2f56668d607c3d6cb08ae7d588e208c
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8 <requirements> |
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f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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9 <requirement type="package" version="1.16.17">peptide-shaker</requirement> |
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dfaea053e32f
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 327a3944f2f56668d607c3d6cb08ae7d588e208c
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10 </requirements> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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11 <expand macro="stdio" /> |
18 | 12 <command> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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13 <![CDATA[ |
18 | 14 #from datetime import datetime |
15 #set $exp_str = "Galaxy_Experiment_%s" % datetime.now().strftime("%Y%m%d%H%M%s") | |
16 #set $samp_str = "Sample_%s" % datetime.now().strftime("%Y%m%d%H%M%s") | |
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2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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17 #set $temp_stderr = "peptideshaker_stderr" |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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18 #set $bin_dir = "bin" |
18 | 19 |
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e3be595c0bf5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 5ca27ef280bee8b65fd3d0d2cd5ff280a2cebb3d
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20 |
18 | 21 mkdir output_reports; |
22 cwd=`pwd`; | |
23 | |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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24 ln -s '$searchgui_input' searchgui_input.zip && |
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ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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25 jar xvf searchgui_input.zip SEARCHGUI_IdentificationParameters.par && |
18 | 26 ###################### |
27 ## PeptideShakerCLI ## | |
28 ###################### | |
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ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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29 (peptide-shaker eu.isas.peptideshaker.cmd.PeptideShakerCLI |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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30 --exec_dir="\$cwd/${bin_dir}" |
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2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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31 -temp_folder \$cwd/PeptideShakerCLI |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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32 -experiment '$exp_str' |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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33 -sample '$samp_str' |
18 | 34 -replicate 1 |
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2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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35 -identification_files \$cwd/searchgui_input.zip |
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ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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36 -id_params \$cwd/SEARCHGUI_IdentificationParameters.par |
24 | 37 -out \$cwd/peptideshaker_output.cpsx |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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38 -zip \$cwd/peptideshaker_output.zip |
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f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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39 #set $cleaned_list = str($outputs).split(',') |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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40 #if 'cps' in $cleaned_list: |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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41 #silent $cleaned_list.remove('cps') |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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42 #end if |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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43 #if 'mzidentML' in $cleaned_list: |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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44 #silent $cleaned_list.remove('mzidentML') |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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45 #end if |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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46 #if 'zip' in $cleaned_list: |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
galaxyp
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47 #silent $cleaned_list.remove('zip') |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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48 #end if |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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49 #if len($cleaned_list) > 0 |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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50 ## Only numbers are left over. These corresponds to different reports. |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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51 -reports #echo ','.join($cleaned_list)# |
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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52 #end if |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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53 |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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54 -threads "\${GALAXY_SLOTS:-12}" |
18 | 55 |
56 ##Optional processing parameters: | |
57 #if $processing_options.processing_options_selector == "yes" | |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 6dcfe37e286523588aa2738599af8d3273290f28-dirty
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58 -protein_fdr "${processing_options.protein_fdr}" |
3ef5a7dd1a36
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 6dcfe37e286523588aa2738599af8d3273290f28-dirty
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59 -peptide_fdr "${processing_options.peptide_fdr}" |
3ef5a7dd1a36
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 6dcfe37e286523588aa2738599af8d3273290f28-dirty
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60 -psm_fdr "${processing_options.psm_fdr}" |
18 | 61 -ptm_score "${processing_options.ptm_score.ptm_score_selector}" |
62 #if $processing_options.ptm_score.ptm_score_selector == 1 | |
63 -score_neutral_losses "${processing_options.ptm_score.neutral_losses}" | |
64 #if str($processing_options.ptm_score.ptm_threshold) != '' | |
65 -ptm_threshold "${processing_options.ptm_score.ptm_threshold}" | |
66 #end if | |
67 #end if | |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 48984afa5f3d1b80ecbbff2847645c15acd81fe6
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68 -ptm_alignment "${processing_options.ptm_alignment}" |
79e37eff006d
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 48984afa5f3d1b80ecbbff2847645c15acd81fe6
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69 -ptm_sequence_matching_type "${processing_options.ptm_sequence_matching_type}" |
18 | 70 -protein_fraction_mw_confidence "${processing_options.protein_fraction_mw_confidence}" |
71 #end if | |
72 | |
73 ##Optional filtering parameters: | |
74 #if $filtering_options.filtering_options_selector == "yes": | |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 6dcfe37e286523588aa2738599af8d3273290f28-dirty
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75 -import_peptide_length_min "${filtering_options.min_peptide_length}" |
3ef5a7dd1a36
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 6dcfe37e286523588aa2738599af8d3273290f28-dirty
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76 -import_peptide_length_max "${filtering_options.max_peptide_length}" |
3ef5a7dd1a36
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 6dcfe37e286523588aa2738599af8d3273290f28-dirty
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77 -import_precurosor_mz "${filtering_options.max_precursor_error}" |
3ef5a7dd1a36
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 6dcfe37e286523588aa2738599af8d3273290f28-dirty
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78 -import_precurosor_mz_ppm "${filtering_options.max_precursor_error_type}" |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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79 ##-max_xtandem_e "${filtering_options.max_xtandem_e}" |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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80 ##-max_omssa_e "${filtering_options.max_omssa_e}" |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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81 ##-max_mascot_e "${filtering_options.max_mascot_e}" |
18 | 82 -exclude_unknown_ptms "${filtering_options.exclude_unknown_ptms}" |
83 #end if | |
84 | |
85 2>> $temp_stderr) | |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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86 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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87 && |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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88 |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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89 echo "Running Reports"; |
18 | 90 |
91 ################################## | |
92 ## PeptideShaker Report options ## | |
93 ################################## | |
94 | |
95 #if 'mzidentML' in str($outputs).split(','): | |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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96 echo "Generating mzIdentML"; |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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97 (peptide-shaker eu.isas.peptideshaker.cmd.MzidCLI |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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98 --exec_dir="\$cwd/${bin_dir}" |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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99 -in \$cwd/peptideshaker_output.zip |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit cb53f8e01ae0cc4dc7621f03ba209d040ef30312
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100 -output_file \$cwd/output.mzid |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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101 #if $contact_options.contact_options_selector == "yes": |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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102 -contact_first_name "$contact_options.contact_first_name" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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103 -contact_last_name "$contact_options.contact_last_name" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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104 -contact_email "$contact_options.contact_email" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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105 -contact_address "$contact_options.contact_address" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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106 #if str($contact_options.contact_url).strip() != '': |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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107 -contact_url = "$contact_options.contact_url" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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108 #end if |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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109 -organization_name "$contact_options.organization_name" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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110 -organization_email "$contact_options.organization_email" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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111 -organization_address "$contact_options.organization_address" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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112 #if str($contact_options.organization_url).strip() != '': |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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113 -organization_url = "$contact_options.organization_url" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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changeset
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114 #end if |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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115 #else: |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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116 -contact_first_name "Proteomics" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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117 -contact_last_name "Galaxy" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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118 -contact_email "galaxyp@umn.edu" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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119 -contact_address "galaxyp@umn.edu" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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120 -organization_name "University of Minnesota" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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121 -organization_email "galaxyp@umn.edu" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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122 -organization_address "Minneapolis, MN 55455, Vereinigte Staaten" |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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123 #end if |
44
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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124 2>> $temp_stderr) |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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125 && |
18 | 126 #end if |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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127 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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128 ## Generate Reports if the user has selected one of the 8 additional reports |
44
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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129 ## 'cps', 'mzidentML' and 'zip' are not valid options for PeptideShaker |
20
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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130 ## and will not be passed to the command line |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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131 #if set(["0","1","2","3","4","5","6","7"]).intersection( set( str( $outputs ).split(',') ) ): |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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132 |
30
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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133 (peptide-shaker eu.isas.peptideshaker.cmd.ReportCLI |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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134 --exec_dir="\$cwd/${bin_dir}" |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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135 -temp_folder \$cwd/ReportCLI |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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136 -in \$cwd/peptideshaker_output.zip |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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137 -out_reports \$cwd/output_reports |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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138 #set $cleaned_list = str($outputs).split(',') |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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139 #if 'cps' in $cleaned_list: |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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140 #silent $cleaned_list.remove('cps') |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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141 #end if |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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142 #if 'mzidentML' in $cleaned_list: |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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143 #silent $cleaned_list.remove('mzidentML') |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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144 #end if |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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145 #if 'zip' in $cleaned_list: |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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146 #silent $cleaned_list.remove('zip') |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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147 #end if |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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148 ## Only numbers are left over. These corresponds to different reports. |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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149 -reports #echo ','.join($cleaned_list)# |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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150 |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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151 2>> $temp_stderr) |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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152 && |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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153 #end if |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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154 |
30
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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155 ## # ls -l \$cwd/output_reports/* ; |
20
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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156 |
18 | 157 #if '0' in str($outputs).split(','): |
20
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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158 find \$cwd/output_reports -name '*Certificate_of_Analysis*' -exec bash -c 'mv "$0" "certificate.txt"' {} \; |
18 | 159 ; |
160 #end if | |
161 #if '1' in str($outputs).split(','): | |
162 find \$cwd/output_reports -name '*Hierarchical*' -exec bash -c 'mv "$0" "hierarchical.txt"' {} \; | |
163 ; | |
164 #end if | |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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165 #if '2' in str($outputs).split(','): |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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166 find \$cwd/output_reports -name '*PSM_Phosphorylation_Report*' -exec bash -c 'mv "$0" "psm_phospho.txt"' {} \; |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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167 ; |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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168 #end if |
30
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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169 #if '8' in str($outputs).split(','): |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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170 find \$cwd/output_reports -name '*Extended_PSM_Report*' -exec bash -c 'mv "$0" "psmx.txt"' {} \; |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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171 ; |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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172 #end if |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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173 #if '3' in str($outputs).split(','): |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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174 find \$cwd/output_reports -name '*PSM_Report*' -exec bash -c 'mv "$0" "psm.txt"' {} \; |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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175 ; |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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176 #end if |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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177 #if '4' in str($outputs).split(','): |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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178 find \$cwd/output_reports -name '*Peptide_Phosphorylation_Report*' -exec bash -c 'mv "$0" "peptides_phospho.txt"' {} \; |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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179 ; |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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180 #end if |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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181 #if '5' in str($outputs).split(','): |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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182 find \$cwd/output_reports -name '*Peptide_Report*' -exec bash -c 'mv "$0" "peptides.txt"' {} \; |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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183 ; |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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184 #end if |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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185 #if '6' in str($outputs).split(','): |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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186 find \$cwd/output_reports -name '*Protein_Phosphorylation_Report*' -exec bash -c 'mv "$0" "proteins_phospho.txt"' {} \; |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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187 ; |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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188 #end if |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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189 #if '7' in str($outputs).split(','): |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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190 find \$cwd/output_reports -name '*Protein_Report*' -exec bash -c 'mv "$0" "proteins.txt"' {} \; |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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191 ; |
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192 #end if |
18 | 193 |
194 exit_code_for_galaxy=\$?; | |
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195 cat $temp_stderr 2>&1; |
18 | 196 (exit \$exit_code_for_galaxy) |
197 | |
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198 ]]> |
18 | 199 </command> |
200 <inputs> | |
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201 <param name="searchgui_input" format="searchgui_archive" type="data" label="Compressed SearchGUI results" |
24 | 202 help="SearchGUI Results from History"> |
203 <options options_filter_attribute="metadata.searchgui_major_version" > | |
204 <filter type="add_value" value="@SEARCHGUI_MAJOR_VERSION@" /> | |
205 </options> | |
206 </param> | |
18 | 207 <conditional name="processing_options"> |
208 <param name="processing_options_selector" type="select" label="Specify Advanced PeptideShaker Processing Options"> | |
209 <option value="no" selected="True">Default Processing Options</option> | |
210 <option value="yes">Advanced Processing Options</option> | |
211 </param> | |
212 <when value="no" /> | |
213 <when value="yes"> | |
214 <param name="protein_fdr" label="FDR at the protein level" help="In percent (default 1% FDR: '1')" value="1" type="float" /> | |
215 <param name="peptide_fdr" label="FDR at the peptide level" help="In percent (default 1% FDR: '1')" value="1" type="float" /> | |
216 <param name="psm_fdr" label="FDR at the PSM level" help="In percent (default 1% FDR: '1')" value="1" type="float" /> | |
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217 <param name="protein_fraction_mw_confidence" value="95.0" type="float" label="Minimum confidence required for a protein in the fraction MW plot" |
18 | 218 help="default 95%: '95.0'" /> |
219 <conditional name="ptm_score"> | |
220 <param name="ptm_score_selector" type="select" label="The PTM probabilistic score to use for PTM localization"> | |
221 <option value="0" selected="True">A-score</option> | |
222 <option value="1">PhosphoRS</option> | |
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223 <option value="2">None</option> |
18 | 224 </param> |
225 <when value="0" /> | |
226 <when value="1"> | |
227 <param name="score_neutral_losses" label="Include Neutral Losses in A Score" type="boolean" truevalue="1" falsevalue="0" /> | |
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228 <param name="ptm_threshold" label="The threshold to use for the PTM scores" optional="true" value="" type="float" |
18 | 229 help="Automatic mode will be used if not set" /> |
230 </when> | |
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231 <when value="2" /> |
18 | 232 </conditional> |
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233 <param name="ptm_sequence_matching_type" type="select" label="The PTM to peptide sequence matching type"> |
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234 <option value="0">Character Sequence</option> |
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235 <option value="1" selected="true">Amino Acids</option> |
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236 <option value="2">Indistinguishable Amino Acids</option> |
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237 </param> |
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238 <param name="ptm_alignment" label="Align peptide ambiguously localized PTMs on confident sites" type="boolean" truevalue="1" falsevalue="0" checked="true"/> |
18 | 239 <!-- SKIPPING -protein_fraction_mw_confidence ${processing_options.protein_fraction_mw_confidence} --> |
240 </when> | |
241 </conditional> | |
242 <conditional name="filtering_options"> | |
243 <param name="filtering_options_selector" type="select" label="Specify Advanced Filtering Options" | |
244 help="Filter based on peptide lengths, precursor mass error, E value errors from X! Tandem and OMSSA, and include/exclude unknown PTM’s"> | |
245 <option value="no" selected="True">Default Filtering Options</option> | |
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246 <option value="yes">Advanced Filtering Options</option> |
18 | 247 </param> |
248 <when value="no" /> | |
249 <when value="yes"> | |
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250 <param name="min_peptide_length" type="integer" label="Minimum Peptide Length" value="6" /> |
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251 <param name="max_peptide_length" type="integer" label="Maximum Peptide Length" value="30" /> |
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252 <param name="max_precursor_error" type="float" label="Maximum Precursor Error" value="10" |
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253 help="Next option specifies units (Da or ppm)" /> |
18 | 254 <param name="max_precursor_error_type" label="Maximum Precursor Error Type" type="select"> |
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255 <option value="1">ppm</option> |
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256 <option value="0">Daltons</option> |
18 | 257 </param> |
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258 <!--param name="max_xtandem_e" label="Maximum X! Tandem e-value" value="100" type="float" help="" /--> |
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259 <!--param name="max_omssa_e" label="Maximum OMSSA e-value" value="100" type="float" help="" /--> |
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260 <!--param name="max_mascot_e" label="Maximum Mascot e-value filter" value="100" type="float" help="" /--> |
18 | 261 <param name="exclude_unknown_ptms" label="Exclude Unknown PTMs" type="boolean" truevalue="1" falsevalue="0" checked="true" /> |
262 </when> | |
263 </conditional> | |
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264 <conditional name="contact_options"> |
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265 <param name="contact_options_selector" type="select" label="Specify Contact Information for mzIdendML" |
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266 help="Create a Galaxy workflow to save these values"> |
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267 <option value="no" selected="True">GalaxyP Project contact (Not suitable for PRIDE submission)</option> |
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268 <option value="yes">Specify Contact Information</option> |
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269 </param> |
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270 <when value="no" /> |
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271 <when value="yes"> |
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272 <param name="contact_first_name" type="text" value="" label="Contact first name."> |
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273 <validator type="regex" message="">\S+.*</validator> |
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274 </param> |
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275 <param name="contact_last_name" type="text" value="" label="Contact last name."> |
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276 <validator type="regex" message="">\S+.*</validator> |
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277 </param> |
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278 <param name="contact_email" type="text" value="" label="Contact e-mail."> |
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279 <validator type="regex" message="">\S+@\S+</validator> |
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280 </param> |
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281 <param name="contact_address" type="text" value="" label="Contact address."> |
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282 <validator type="regex" message="">\S+.*</validator> |
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283 </param> |
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284 <param name="contact_url" type="text" value="" optional="true" label="Contact URL."> |
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285 </param> |
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286 <param name="organization_name" type="text" value="" label="Organization name."> |
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287 <validator type="regex" message="">\S+.*</validator> |
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288 </param> |
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289 <param name="organization_email" type="text" value="" label="Organization e-mail."> |
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290 <validator type="regex" message="">\S+@\S+</validator> |
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291 </param> |
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292 <param name="organization_address" type="text" value="" label="Organization address."> |
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293 <validator type="regex" message="">\S+.*</validator> |
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294 </param> |
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295 <param name="organization_url" type="text" value="" optional="true" label="Organization URL."> |
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296 </param> |
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297 </when> |
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298 </conditional> |
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299 |
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300 <param name="include_sequences" type="boolean" truevalue="1" falsevalue="0" checked="false" label="Include the protein sequences in mzIdentML" /> |
18 | 301 <param name="outputs" type="select" display="checkboxes" multiple="True" label="Output options"> |
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302 <option value="zip">Zip File for import to Desktop App</option> |
18 | 303 <option value="mzidentML" selected="True">mzidentML File</option> |
30
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304 <option value="3">PSM Report</option> |
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305 <option value="8">Extended PSM Report</option> |
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306 <option value="2">PSM Phosphorylation Report</option> |
30
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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307 <option value="5">Peptide Report</option> |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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308 <option value="4">Peptide Phosphorylation Report</option> |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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309 <option value="7">Protein Report</option> |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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310 <option value="6">Protein Phosphorylation Report</option> |
18 | 311 <option value="0">Certificate of Analysis</option> |
312 <option value="1">Hierarchical Report</option> | |
313 <option value="cps">CPS file</option> | |
314 <validator type="no_options" message="Please select at least one output file" /> | |
315 </param> | |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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316 |
18 | 317 </inputs> |
318 <outputs> | |
319 <data format="mzid" name="mzidentML" from_work_dir="output.mzid" label="${tool.name} on ${on_string}: mzidentML file"> | |
320 <filter>'mzidentML' in outputs</filter> | |
321 </data> | |
44
f35bb9d0c93e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 981be1bde91d6d565693cd691553f77465e653bb
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322 <data format="peptideshaker_archive" name="output_cps" from_work_dir="peptideshaker_output.cpsx" label="${tool.name} on ${on_string}: CPS file"> |
18 | 323 <filter>'cps' in outputs</filter> |
324 </data> | |
20
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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325 <data format="zip" name="output_zip" from_work_dir="peptideshaker_output.zip" label="${tool.name} on ${on_string}: Archive"> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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326 <filter>'zip' in outputs</filter> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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327 </data> |
18 | 328 <data format="txt" name="output_certificate" from_work_dir="certificate.txt" label="${tool.name} on ${on_string}: Parameters"> |
329 <filter>'0' in outputs</filter> | |
330 </data> | |
20
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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331 <data format="tabular" name="output_hierarchical" from_work_dir="hierarchical.txt" label="${tool.name} on ${on_string}: Hierarchical Report"> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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332 <filter>'1' in outputs</filter> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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333 </data> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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334 <data format="tabular" name="output_psm_phosphorylation" from_work_dir="psm_phospho.txt" label="${tool.name} on ${on_string}: PSM Phosphorylation Report"> |
18 | 335 <filter>'2' in outputs</filter> |
336 </data> | |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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337 <data format="tabular" name="output_psm" from_work_dir="psm.txt" label="${tool.name} on ${on_string}: PSM Report"> |
18 | 338 <filter>'3' in outputs</filter> |
339 </data> | |
30
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
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340 <data format="tabular" name="output_extended_psm" from_work_dir="psmx.txt" label="${tool.name} on ${on_string}: Extended PSM Report"> |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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341 <filter>'8' in outputs</filter> |
ad60446b1e93
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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342 </data> |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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343 <data format="tabular" name="output_peptides_phosphorylation" from_work_dir="peptides_phospho.txt" label="${tool.name} on ${on_string}: Peptide Phosphorylation Report"> |
18 | 344 <filter>'4' in outputs</filter> |
345 </data> | |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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346 <data format="tabular" name="output_peptides" from_work_dir="peptides.txt" label="${tool.name} on ${on_string}: Peptide Report"> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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347 <filter>'5' in outputs</filter> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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348 </data> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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349 <data format="tabular" name="output_proteins_phosphorylation" from_work_dir="proteins_phospho.txt" label="${tool.name} on ${on_string}: Protein Phosphorylation Report"> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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350 <filter>'6' in outputs</filter> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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351 </data> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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352 <data format="tabular" name="output_proteins" from_work_dir="proteins.txt" label="${tool.name} on ${on_string}: Protein Report"> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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353 <filter>'7' in outputs</filter> |
18 | 354 </data> |
355 </outputs> | |
356 <tests> | |
357 <test> | |
21
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 327a3944f2f56668d607c3d6cb08ae7d588e208c
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358 <param name="searchgui_input" value="tiny_searchgui_result1.zip" ftype="searchgui_archive"/> |
18 | 359 <param name="processing_options_selector" value="no"/> |
360 <param name="filtering_options_selector" value="no"/> | |
30
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit bdb5ee12705a3494eee96d1963f16f68bbe41d5c
galaxyp
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361 <param name="outputs" value="zip,3"/> |
33
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit cb53f8e01ae0cc4dc7621f03ba209d040ef30312
galaxyp
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362 <output name="output_zip" file="peptide_shaker_result1.zip" ftype="zip" compare="sim_size" delta="3000" /> |
32
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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363 <output name="output_psm"> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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364 <assert_contents> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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365 <has_text text="cds.comp41779_c0_seq1" /> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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366 </assert_contents> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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367 </output> |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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368 </test> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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369 <test> |
21
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 327a3944f2f56668d607c3d6cb08ae7d588e208c
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370 <param name="searchgui_input" value="tiny_searchgui_result1.zip" ftype="searchgui_archive"/> |
20
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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371 <param name="processing_options_selector" value="no"/> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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372 <param name="filtering_options_selector" value="yes"/> |
2cafc729b2ae
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
iracooke
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373 <param name="min_peptide_length" value="1"/> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b
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374 <param name="outputs" value="0,1,2,3,4,5,6,7"/> |
32
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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375 <output name="output_certificate"> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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376 <assert_contents> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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377 <has_text text="Tolerance: 100" /> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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378 <has_text text="Carbamidomethylation of C" /> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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379 </assert_contents> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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380 </output> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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381 <output name="output_hierarchical"> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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382 <assert_contents> |
33
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit cb53f8e01ae0cc4dc7621f03ba209d040ef30312
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383 <has_text_matching expression="1.1\tcds.comp" /> |
32
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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384 </assert_contents> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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385 </output> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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386 <output name="output_psm"> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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387 <assert_contents> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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388 <not_has_text text="Phosphosite" /> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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389 <has_text text="cds.comp41779_c0_seq1" /> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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390 </assert_contents> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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391 </output> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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392 <output name="output_psm_phosphorylation"> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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393 <assert_contents> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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394 <has_text text="Phosphosite" /> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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395 <has_text text="cds.comp41779_c0_seq1" /> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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396 </assert_contents> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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397 </output> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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398 <output name="output_peptides"> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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399 <assert_contents> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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400 <has_text text="Modification" /> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
galaxyp
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401 <has_text text="cds.comp41779_c0_seq1" /> |
ff592231f118
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 047efcfa1e9f45648e6e81d3776a1a93e2cfe46d
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402 </assert_contents> |
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403 </output> |
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404 <output name="output_peptides_phosphorylation"> |
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405 <assert_contents> |
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406 <has_text text="Phosphosite" /> |
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407 <has_text text="cds.comp41779_c0_seq1" /> |
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408 </assert_contents> |
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409 </output> |
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410 <output name="output_proteins"> |
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411 <assert_contents> |
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412 <has_text text="Modification" /> |
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413 <has_text text="cds.comp41779_c0_seq1" /> |
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414 </assert_contents> |
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415 </output> |
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416 <output name="output_proteins_phosphorylation"> |
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417 <assert_contents> |
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418 <has_text text="Phosphosite" /> |
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419 <has_text text="cds.comp41779_c0_seq1" /> |
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420 </assert_contents> |
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421 </output> |
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422 </test> |
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423 <test> |
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424 <param name="searchgui_input" value="tiny_searchgui_result1.zip" ftype="searchgui_archive"/> |
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425 <param name="processing_options_selector" value="no"/> |
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426 <param name="filtering_options_selector" value="no"/> |
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427 <param name="outputs" value="3,cps"/> |
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428 <output name="output_cps" file="peptide_shaker_result1.cpsx" ftype="peptideshaker_archive" compare="sim_size" delta="3000"/> |
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429 <output name="output_psm"> |
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430 <assert_contents> |
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431 <has_text text="cds.comp41779_c0_seq1" /> |
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432 </assert_contents> |
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433 </output> |
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434 </test> |
18 | 435 </tests> |
436 <help> | |
437 **What it does** | |
438 | |
439 Runs multiple search engines (X! Tandem, OMSSA and MS-GF+) on any number of MGF peak lists using the SearchGUI application and combines the results. | |
440 | |
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441 http://compomics.github.io/projects/peptide-shaker.html |
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442 http://compomics.github.io/projects/searchgui.html |
18 | 443 |
444 ---- | |
445 | |
446 Reports | |
447 ======= | |
448 | |
449 | |
450 PSM Report | |
451 ---------- | |
452 | |
453 * Protein(s): Protein(s) to which the peptide can be attached | |
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454 * Sequence: Sequence of the peptide |
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455 * Variable Modifications: The variable modifications |
18 | 456 * D-score: D-score for variable PTM localization |
457 * probabilistic PTM score: The probabilistic score (e.g. A-score or PhosphoRS) used for variable PTM localization. | |
458 * Localization Confidence: The confidence in variable PTM localization. | |
459 * Fixed Modifications: The fixed modifications. | |
460 * Spectrum File: The spectrum file. | |
461 * Spectrum Title: The title of the spectrum. | |
462 * Spectrum Scan Number: The spectrum scan number. | |
463 * RT: Retention time | |
464 * m/z: Measured m/z | |
465 * Measured Charge: The charge as given in the spectrum file. | |
466 * Identification Charge: The charge as inferred by the search engine. | |
467 * Theoretical Mass: The theoretical mass of the peptide. | |
468 * Isotope Number: The isotope number targetted by the instrument. | |
469 * Precursor m/z Error: The precursor m/z matching error. | |
470 * Score: Score of the retained peptide as a combination of the algorithm scores (used to rank PSMs). | |
471 * Confidence: Confidence in percent associated to the retained PSM. | |
472 * Decoy: Indicates whether the peptide is a decoy (1: yes, 0: no). | |
473 * Validation: Indicates the validation level of the protein group. | |
474 | |
475 | |
476 Protein Report | |
477 -------------- | |
478 | |
479 * Main Accession: Main accession of the protein group. | |
480 * Description: Description of the protein designed by the main accession. | |
481 * Gene Name: The gene names of the Ensembl gene ID associated to the main accession. | |
482 * Chromosome: The chromosome of the Ensembl gene ID associated to the main accession. | |
483 * PI: Protein Inference status of the protein group. | |
484 * Secondary Accessions: Other accessions in the protein group (alphabetical order). | |
485 * Protein Group: The complete protein group (alphabetical order). | |
486 * #Peptides: Total number of peptides. | |
487 * #Validated Peptides: Number of validated peptides. | |
488 * #Unique: Total number of peptides unique to this protein group. | |
489 * #PSMs: Number of PSMs | |
490 * #Validated PSMs: Number of validated PSMs | |
491 * Coverage (%): Sequence coverage in percent of the protein designed by the main accession. | |
492 * Possible Coverage (%): Possible sequence coverage in percent of the protein designed by the main accession according to the search settings. | |
493 * MW (kDa): Molecular Weight. | |
494 * Spectrum Counting NSAF: Normalized Spectrum Abundance Factor (NSAF) | |
495 * Spectrum Counting emPAI: exponentially modified Protein Abundance Index (emPAI) | |
496 * Confident Modification Sites: Number of Confident Modification Sites List of the sites where a variable modification was confidently localized. | |
497 * Other Modification Sites: Number of other Modification Sites List of the non*confident sites where a variable modification was localized. | |
498 * Score: Score of the protein group. | |
499 * Confidence: Confidence in percent associated to the protein group. | |
500 * Decoy: Indicates whether the protein group is a decoy (1: yes, 0: no). | |
501 * Validation: Indicates the validation level of the protein group. | |
502 | |
503 | |
504 Peptide Report | |
505 -------------- | |
506 | |
507 | |
508 * Protein(s): Protein(s) to which this peptide can be attached. | |
509 * AAs Before: The amino-acids before the sequence. | |
510 * Sequence: Sequence of the peptide. | |
511 * AAs After: The amino-acids after the sequence. | |
512 * Modified Sequence: The peptide sequence annotated with variable modifications. | |
513 * Variable Modifications: The variable modifications. | |
514 * Localization Confidence: The confidence in PTMs localization. | |
515 * Fixed Modifications: The fixed modifications. | |
516 * #Validated PSMs: Number of validated PSMs. | |
517 * #PSMs: Number of PSMs. | |
518 * Score: Score of the peptide. | |
519 * Confidence: Confidence in percent associated to the peptide. | |
520 * Decoy: Indicates whether the peptide is a decoy (1: yes, 0: no). | |
521 * Validation: Indicates the validation level of the protein group. | |
522 | |
523 | |
524 Hierachical Report | |
525 ------------------ | |
526 | |
527 * Main Accession: Main accession of the protein group. | |
528 * Description: Description of the protein designed by the main accession. | |
529 * PI: Protein Inference status of the protein group. | |
530 * Secondary Accessions: Other accessions in the protein group (alphabetical order). | |
531 * Protein Group: The complete protein group (alphabetical order). | |
532 * #Peptides: Total number of peptides. | |
533 * #Validated Peptides: Number of validated peptides. | |
534 * #Unique: Total number of peptides unique to this protein group. | |
535 * #PSMs: Number of PSMs | |
536 * #Validated PSMs: Number of validated PSMs | |
537 * Coverage (%): Sequence coverage in percent of the protein designed by the main accession. | |
538 * Possible Coverage (%): Possible sequence coverage in percent of the protein designed by the main accession according to the search settings. | |
539 * MW (kDa): Molecular Weight. | |
540 * Spectrum Counting NSAF: Normalized Spectrum Abundance Factor (NSAF) | |
541 * Spectrum Counting emPAI: exponentially modified Protein Abundance Index (emPAI) | |
542 * Confident Modification Sites: # Confident Modification Sites List of the sites where a variable modification was confidently localized. | |
543 * Other Modification Sites: # Other Modification Sites List of the non-confident sites where a variable modification was localized. | |
544 * Score: Score of the protein group. | |
545 * Confidence: Confidence in percent associated to the protein group. | |
546 * Decoy: Indicates whether the protein group is a decoy (1: yes, 0: no). | |
547 * Validation: Indicates the validation level of the protein group. | |
548 * Protein(s): Protein(s) to which this peptide can be attached. | |
549 * AAs Before: The amino-acids before the sequence. | |
550 * Sequence: Sequence of the peptide. | |
551 * AAs After: The amino-acids after the sequence. | |
552 * Variable Modifications: The variable modifications. | |
553 * Localization Confidence: The confidence in PTMs localization. | |
554 * Fixed Modifications: The fixed modifications. | |
555 * #Validated PSMs: Number of validated PSMs. | |
556 * #PSMs: Number of PSMs. | |
557 * Score: Score of the peptide. | |
558 * Confidence: Confidence in percent associated to the peptide. | |
559 * Decoy: Indicates whether the peptide is a decoy (1: yes, 0: no). | |
560 * Validation: Indicates the validation level of the protein group. | |
561 * Protein(s): Protein(s) to which the peptide can be attached. | |
562 * Sequence: Sequence of the peptide. | |
563 * Modified Sequence: The peptide sequence annotated with variable modifications. | |
564 * Variable Modifications: The variable modifications. | |
565 * D-score: D-score for variable PTM localization. | |
566 * probabilistic PTM score: The probabilistic score (e.g. A-score or PhosphoRS) used for variable PTM localization. | |
567 * Localization Confidence: The confidence in variable PTM localization. | |
568 * Fixed Modifications: The fixed modifications. | |
569 * Spectrum File: The spectrum file. | |
570 * Spectrum Title: The title of the spectrum. | |
571 * Spectrum Scan Number: The spectrum scan number. | |
572 * RT: Retention time | |
573 * m/z: Measured m/z | |
574 * Measured Charge: The charge as given in the spectrum file. | |
575 * Identification Charge: The charge as inferred by the search engine. | |
576 * Theoretical Mass: The theoretical mass of the peptide. | |
577 * Isotope Number: The isotope number targetted by the instrument. | |
578 * Precursor m/z Error: The precursor m/z matching error. | |
579 * Score: Score of the retained peptide as a combination of the algorithm scores (used to rank PSMs). | |
580 * Confidence: Confidence in percent associated to the retained PSM. | |
581 * Decoy: Indicates whether the peptide is a decoy (1: yes, 0: no). | |
582 * Validation: Indicates the validation level of the protein group. | |
583 | |
584 | |
585 ------ | |
586 | |
587 **Citation** | |
588 | |
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589 To cite the underlying tools (PeptideShaker and SearchGUI) please refer to the list of papers at http://compomics.github.io |
18 | 590 |
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591 If you use this tool in Galaxy, please cite Chilton J, Ira Cooke, Bjoern Gruening et al. |
18 | 592 </help> |
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593 <expand macro="citations" /> |
18 | 594 </tool> |