# HG changeset patch
# User galaxyp
# Date 1446842014 18000
# Node ID 815f93bb3e1b9515d38be2b429176436ddeedad9
# Parent 913dbf2b83e0025a6bafb858d654ad356a65baf2
Uploaded
diff -r 913dbf2b83e0 -r 815f93bb3e1b README.rst
--- a/README.rst Mon Aug 10 18:25:37 2015 -0400
+++ b/README.rst Fri Nov 06 15:33:34 2015 -0500
@@ -42,6 +42,8 @@
Note
----
+- Requires Galaxy release v15.10 or later, which fixes the installation of package_peptideshaker_1_1 and provides a searchgui_archive datatype that includes a version
+
- PeptideShaker may require xvfb to simulate an X environment if this is installed on a headless server.
See:
@@ -50,6 +52,14 @@
*
+Search GUI - Fixed and Variable Modifications
+-------------------------------------------
+
+ - Options for modifications are read from local data file: searchgui_mods.loc
+ This is copied from searchgui_mods.loc.sample on the first installation.
+
+The modifications are from: https://github.com/compomics/compomics-utilities/blob/master/src/main/java/com/compomics/util/experiment/identification/search_parameters_cli/IdentificationParametersInputBean.java
+
GalaxyP Community
-----------------
diff -r 913dbf2b83e0 -r 815f93bb3e1b macros.xml
--- a/macros.xml Mon Aug 10 18:25:37 2015 -0400
+++ b/macros.xml Fri Nov 06 15:33:34 2015 -0500
@@ -25,7 +25,8 @@
-fi $forward_ion
-ri $reverse_ion
-
+ 2
+ 2.1
diff -r 913dbf2b83e0 -r 815f93bb3e1b peptide_shaker.xml
--- a/peptide_shaker.xml Mon Aug 10 18:25:37 2015 -0400
+++ b/peptide_shaker.xml Fri Nov 06 15:33:34 2015 -0500
@@ -1,4 +1,4 @@
-
+
Perform protein identification using various search engines based on results from SearchGUI
@@ -6,7 +6,7 @@
macros.xml
- peptide_shaker
+ peptide_shaker
@@ -33,7 +33,7 @@
-sample '$samp_str'
-replicate 1
-identification_files \$cwd/searchgui_input.zip
- -out \$cwd/peptideshaker_output.cps
+ -out \$cwd/peptideshaker_output.cpsx
-zip \$cwd/peptideshaker_output.zip
-threads "\${GALAXY_SLOTS:-12}"
@@ -166,7 +166,12 @@
+ help="SearchGUI Results from History">
+
+
+
+ value is not None and value.metadata.searchgui_major_version == "@SEARCHGUI_MAJOR_VERSION@"
+
Protists
+
diff -r 913dbf2b83e0 -r 815f93bb3e1b repository_dependencies.xml
--- a/repository_dependencies.xml Mon Aug 10 18:25:37 2015 -0400
+++ /dev/null Thu Jan 01 00:00:00 1970 +0000
@@ -1,4 +0,0 @@
-
-
-
-
diff -r 913dbf2b83e0 -r 815f93bb3e1b searchgui.xml
--- a/searchgui.xml Mon Aug 10 18:25:37 2015 -0400
+++ b/searchgui.xml Fri Nov 06 15:33:34 2015 -0500
@@ -1,4 +1,4 @@
-
+
Perform protein identification using various search engines and prepare results for input to Peptide Shaker
@@ -6,7 +6,7 @@
macros.xml
- searchgui
+ searchguiC
@@ -22,6 +22,9 @@
cwd=`pwd`;
export HOME=\$cwd;
+ ##Create a searchgui.properties file for the version, which will be added to the searchgui_results if not already present
+ echo "searchgui.version=@SEARCHGUI_VERSION@" >> searchgui.properties;
+
cp -r "\${SEARCHGUI_JAR_PATH%/*}" bin;
tmp_searchgui_jar_path=`echo "\$cwd/bin/\${SEARCHGUI_JAR_PATH\#\#/*/}"`;
@@ -48,7 +51,7 @@
#####################################################
(java -cp \$tmp_searchgui_jar_path eu.isas.searchgui.cmd.IdentificationParametersCLI
- -out SEARCHGUI_IdentificationParameters.parameters
+ -out SEARCHGUI_IdentificationParameters.par
@GENERAL_PARAMETERS@
@@ -168,6 +171,27 @@
-myrimatch_max_peak ${myrimatch.myrimatch_max_peak}
#end if
+ #*
+ #if $andromeda.andromeda_advanced == "yes"
+ -andromeda_max_pep_mass ${andromeda.andromeda_max_pep_mass}
+ -andromeda_max_comb ${andromeda.andromeda_max_comb}
+ -andromeda_top_peaks ${andromeda.andromeda_top_peaks}
+ -andromeda_top_peaks_window ${andromeda.andromeda_top_peaks_window}
+ -andromeda_incl_water ${andromeda.andromeda_incl_water}
+ -andromeda_incl_ammonia ${andromeda.andromeda_incl_ammonia}
+ -andromeda_neutral_losses ${andromeda.andromeda_neutral_losses}
+ -andromeda_fragment_all ${andromeda.andromeda_fragment_all}
+ -andromeda_emp_correction ${andromeda.andromeda_emp_correction}
+ -andromeda_higher_charge ${andromeda.andromeda_higher_charge}
+ -andromeda_equal_il ${andromeda.andromeda_equal_il}
+ -andromeda_frag_method ${andromeda.andromeda_frag_method}
+ -andromeda_max_mods ${andromeda.andromeda_max_mods}
+ -andromeda_min_pep_length ${andromeda.andromeda_min_pep_length}
+ -andromeda_max_pep_length ${andromeda.andromeda_max_pep_length}
+ -andromeda_max_psms ${andromeda.andromeda_max_psms}
+ #end if
+ *#
+
#if $tide.tide_advanced == "yes"
-tide_num_ptms ${tide.tide_num_ptms}
-tide_num_ptms_per_type ${tide.tide_num_ptms_per_type}
@@ -256,7 +280,7 @@
-temp_folder `pwd`
-spectrum_files \$cwd
-output_folder \$cwd/output
- -id_params SEARCHGUI_IdentificationParameters.parameters
+ -id_params SEARCHGUI_IdentificationParameters.par
-threads "\${GALAXY_SLOTS:-12}"
@@ -316,6 +340,12 @@
-ms_amanda 0
#end if
+ #if 'Andromeda' in $engines_list:
+ -andromeda 1
+ #else
+ -andromeda 0
+ #end if
+
## single zip file
-output_option 0
@@ -330,6 +360,10 @@
&&
+ (zip -u searchgui_out.zip searchgui.properties 2>> $temp_stderr)
+
+ &&
+
exit_code_for_galaxy=\$?;
cat $temp_stderr 2>&1;
(exit \$exit_code_for_galaxy)
@@ -357,6 +391,9 @@
+
@@ -780,6 +817,39 @@
+
+
+
diff -r 913dbf2b83e0 -r 815f93bb3e1b searchgui_mods.loc.sample
--- a/searchgui_mods.loc.sample Mon Aug 10 18:25:37 2015 -0400
+++ b/searchgui_mods.loc.sample Fri Nov 06 15:33:34 2015 -0500
@@ -1,210 +1,140 @@
-methylation of k
-oxidation of m
-carboxymethyl c
-carbamidomethyl c
-deamidation of n and q
-propionamide c
-phosphorylation of s
-phosphorylation of t
-phosphorylation of y
-m cleavage from protein n-term
-acetylation of protein n-term
-methylation of protein n-term
-tri-methylation of protein n-term
-beta methythiolation of d
-methylation of q
-tri-methylation of k
-methylation of d
-methylation of e
-methylation of peptide c-term
-tri-deuteromethylation of d
-tri-deuteromethylation of e
-tri-deuteromethylation of peptide c-term
-n-formyl met addition
-2-amino-3-oxo-butanoic acid t
-acetylation of k
-amidation of peptide c-term
-beta-methylthiolation of d (duplicate of 13)
-carboxyamidomethylation of k
-carboxyamidomethylation of h
-carboxyamidomethylation of d
-carboxyamidomethylation of e
-carbamylation of k
-carbamylation of n-term peptide
-citrullination of r
-oxidation of c to cysteic acid
-di-iodination of y
-di-methylation of k
-di-methylation of r
-di-methylation of peptide n-term
-oxidation of f to dihydroxyphenylalanine
-gammathiopropionylation of k
-gammathiopropionylation of peptide n-term
-farnesylation of c
-formylation of k
-formylation of peptide n-term
-oxidation of w to formylkynurenin
-fluorophenylalanine
-beta-carboxylation of d
-gamma-carboxylation of e
-geranyl-geranyl
-glucuronylation of protein n-term
-glutathione disulfide
-ubiquitinylation residue
-guanidination of k
-oxidation of h to n
-oxidation of h to d
-homoserine
-homoserine lactone
-oxidation of w to hydroxykynurenin
-hydroxylation of d
-hydroxylation of k
-hydroxylation of n
-hydroxylation of p
-hydroxylation of f
-hydroxylation of y
-iodination of y
-oxidation of w to kynurenin
-lipoyl k
-methyl ester of peptide c-term (duplicate of 18)
-methyl ester of d
-methyl ester of e (duplicate of 17)
-methyl ester of s
-methyl ester of y
-methyl c
-methyl h
-methyl n
-methylation of peptide n-term
-methyl r
-myristoleylation of g
-myristoyl-4h of g
-myristoylation of peptide n-term g
-myristoylation of k
-formylation of protein n-term
-nem c
-nipcam
-oxidation of w to nitro
-oxidation of y to nitro
-o18 on peptide n-term
-di-o18 on peptide n-term
-oxidation of h
-oxidation of w
-phosphopantetheine s
-palmitoylation of c
-palmitoylation of k
-palmitoylation of s
-palmitoylation of t
-phosphorylation of s with prompt loss
-phosphorylation of t with prompt loss
-phosphorylation with prompt loss on y
-phosphorylation with neutral loss on c
-phosphorylation with neutral loss on d
-phosphorylation with neutral loss on h
-propionyl light k
-propionyl light on peptide n-term
-propionyl heavy k
-propionyl heavy peptide n-term
-pyridyl k
-pyridyl peptide n-term
-pyro-cmc
-pyro-glu from n-term e
-pyro-glu from n-term q
-oxidation of p to pyroglutamic acid
-s-pyridylethylation of c
-semet
-sulfation of y
-sulphone of m
-tri-iodination of y
-tri-methylation of r
-n-acyl diglyceride cysteine
-icat light
-icat heavy
-camthiopropanoyl k
-phosphorylation with neutral loss on s
-phosphorylation with neutral loss on t
-phosphorylation of s with etd loss
-phosphorylation of t with etd loss
-heavy arginine-13c6
-heavy arginine-13c6-15n4
-heavy lysine-13c6
-pngasf in o18 water
-beta elimination of s
-beta elimination of t
-oxidation of c to sulfinic acid
-arginine to ornithine
-dehydro of s and t
-carboxykynurenin of w
-sumoylation of k
-itraq114 on nterm
-itraq114 on k
-itraq114 on y
-itraq115 on nterm
-itraq115 on k
-itraq115 on y
-itraq116 on nterm
-itraq116 on k
-itraq116 on y
-itraq117 on nterm
-itraq117 on k
-itraq117 on y
-mmts on c
-heavy lysine - 2h4
-heavy lysine - 13c6 15n2
-asparagine hexnac
-asparagine dhexhexnac
-serine hexnac
-threonine hexnac
-palmitoleyl of s
-palmitoleyl of c
-palmitoleyl of t
-chd2-di-methylation of k
-chd2-di-methylation of peptide n-term
-maleimide-peo2-biotin of c
-phosphorylation of h
-oxidation of c
-oxidation of y (duplicate of 64)
-uniblue a on k
-deamidation of n
-trideuteration of l (silac)
-tmt duplex on k
-tmt duplex on n-term peptide
-tmt 6-plex on k
-tmt 6-plex on n-term peptide
-itraq8plex:13c(7)15n(1) on nterm
-itraq8plex:13c(7)15n(1) on k
-itraq8plex:13c(7)15n(1) on y
-itraq8plex:13c(6)15n(2) on nterm
-itraq8plex:13c(6)15n(2) on k
-itraq8plex:13c(6)15n(2) on y
-selenocysteine
-carboxymethylated selenocysteine
-dimethyl 2d n-terminus
-dimethyl 2d k
-gtp desthiobiotinc12
-gtp desthiobiotinc13
-user modification 5
-user modification 6
-user modification 7
-user modification 8
-user modification 9
-user modification 10
-user modification 11
-user modification 12
-user modification 13
-user modification 14
-user modification 15
-user modification 16
-user modification 17
-user modification 18
-user modification 19
-user modification 20
-user modification 21
-user modification 22
-user modification 23
-user modification 24
-user modification 25
-user modification 26
-user modification 27
-user modification 28
-user modification 29
-user modification 30
+18O(1) of peptide C-term
+18O(2) of peptide C-term
+4-Hydroxyproline
+Acetaldehyde +26
+Acetylation of K
+Acetylation of peptide N-term
+Acetylation of protein N-term
+Amidation of the peptide C-term
+Amidation of the protein C-term
+Arginine 13C(6)
+Arginine 13C(6) 15N(4)
+Carbamidomethylation of C
+Carbamidomethylation of E
+Carbamidomethylation of K
+Carbamilation of K
+Carbamilation of protein N-term
+Carboxymethylation of C
+Deamidation of N
+Deamidation of N 18O
+Deamidation of Q
+Dehydration of S
+Dehydration of T
+Didehydro of T
+Diiodination of Y
+Dimethylation of K
+Dimethylation of K 2H(4)
+Dimethylation of K 2H(6)
+Dimethylation of R
+Dimethylation of peptide N-term 2H(6)
+Dimethylation of peptide N-term 2H(6) 13C(2)
+Dimethylation of peptide N-term K
+Dimethylation of peptide N-term K 2H(4)
+Dioxidation of M
+Dioxidation of W
+Farnesylation of C
+FormylMet of protein N-term
+Formylation of K
+Formylation of S
+Formylation of T
+Formylation of peptide N-term
+Formylation of protein N-term
+Geranyl-geranyl of C
+Glutathione of C
+Guanidination of K
+Guanidination of peptide N-term
+Hex(1)NAc(1) of S
+Hex(1)NAc(1) of T
+Hex(5) HexNAc(4) NeuAc(2) Na of N
+Hex(5) HexNAc(4) NeuAc(2) of N
+HexNAc of S
+HexNAc of T
+Hexose of K
+Homoserine lactone of peptide C-term M
+Homoserine of peptide C-term M
+ICAT-9
+ICAT-O
+ICPL0 of K
+ICPL0 of peptide N-term
+ICPL10 of K
+ICPL10 of peptide N-term
+ICPL4 of K
+ICPL4 of peptide N-term
+ICPL6 of K
+ICPL6 of peptide N-term
+Isoleucine 13C(6) 15N(1)
+Leucine 13C(6) 15N(1)
+Lipoyl of K
+Lysine 13C(6)
+Lysine 13C(6) 15N(2)
+Lysine 2H(4)
+Methylation of C
+Methylation of D
+Methylation of E
+Methylation of K
+Methylation of R
+Methylation of S
+Methylthio of C
+Methylthio of D
+Methylthio of N
+NIPCAM of C
+Nethylmaleimide of C
+Oxidation of C
+Oxidation of K
+Oxidation of M
+Oxidation of P
+Palmitoylation of C
+Palmitoylation of K
+Palmitoylation of S
+Palmitoylation of T
+Palmitoylation of protein N-term
+Phosphorylation of S
+Phosphorylation of T
+Phosphorylation of Y
+Proline 13C(5)
+Propionamide of C
+Propionamide of K
+Propionamide of peptide N-term
+Propionyl of K heavy
+Propionyl of K light
+Propionyl of peptide N-term heavy
+Propionyl of peptide N-term light
+Pyridylethyl of C
+Pyrolidone from E
+Pyrolidone from Q
+Pyrolidone from carbamidomethylated C
+SUMO-2/3 Q87R
+Sodium adduct to D
+Sodium adduct to E
+Sulfonation of S
+Sulfonation of T
+Sulfonation of Y
+TMT 10-plex of K
+TMT 10-plex of peptide N-term
+TMT 2-plex of K
+TMT 2-plex of peptide N-term
+TMT 6-plex of K
+TMT 6-plex of peptide N-term
+Thioacyl of peptide N-term
+Trideuterated Methyl Ester of D
+Trideuterated Methyl Ester of E
+Trideuterated Methyl Ester of K
+Trideuterated Methyl Ester of R
+Trideuterated Methyl Ester of peptide C-term
+Trimethylation of K
+Trimethylation of R
+Trimethylation of protein N-term A
+Trioxidation of C
+Ubiquitination of K
+iTRAQ 4-plex of K
+iTRAQ 4-plex of Y
+iTRAQ 4-plex of peptide N-term
+iTRAQ 8-plex of K
+iTRAQ 8-plex of Y
+iTRAQ 8-plex of peptide N-term
+mTRAQ of 13C(6) 15N(2)
+mTRAQ of K 13C(3) 15N
+mTRAQ of K light
+mTRAQ of peptide N-term 13C(3) 15N
+mTRAQ of peptide N-term 13C(6) 15N(2)
+mTRAQ of peptide N-term light
diff -r 913dbf2b83e0 -r 815f93bb3e1b tool_dependencies.xml
--- a/tool_dependencies.xml Mon Aug 10 18:25:37 2015 -0400
+++ b/tool_dependencies.xml Fri Nov 06 15:33:34 2015 -0500
@@ -1,9 +1,9 @@
-
-
+
+
-
-
+
+