Mercurial > repos > chrisb > gap_all_glycan_tools
view extract_display_features/rings_fingerprinter/post_fingerprinter.xml @ 1:0a5e0df17054 draft default tip
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author | chrisb |
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date | Fri, 06 May 2016 08:05:48 -0400 |
parents | 89592faa2875 |
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<tool id="glytools_fingerprinter" name="GAP Fingerprinter" version="0.2"> <description>provides binary fingerprints for glycans using RINGS fingerprinter tool</description> <requirements> <requirement type="package" version="1.0">python_for_glycan_tools</requirement> </requirements> <command interpreter="python"><![CDATA[post_fingerprinter.py -i $input -o $output -d $dendrogram -f $format -g $glycanfragmentsize -s $fingerprintsize -n $folds -c $tanimoto -u $showunit -r $showgroup -m $showsimmatrix -l $showdissimmatrix -e $showmode ]]></command> <inputs> <param format="kcf" name="input" type="data" label="KCF source file"/> <param name="format" type="integer" value="0" min="0" max="1" label="KCF(0) or Fingerprint(1) format"/> <param name="glycanfragmentsize" type="integer" value="10000" min="0" max="100000" label="Glycan fragment size"/> <param name="fingerprintsize" type="integer" value="1024" min="1" max="10000" label="Fingerprint size"/> <param name="folds" type="integer" value="0" min="0" max="100" label="Number of Folds"/> <param name="tanimoto" type="integer" value="1" min="1" max="2" label="Tanimoto(1) or Mod Tanimoto(2)"/> <param name="showunit" type="integer" value="0" min="0" max="1" label="Show unit fingerprint"/> <param name="showgroup" type="integer" value="0" min="0" max="1" label="Show group fingerprint"/> <param name="showsimmatrix" type="integer" value="1" min="0" max="1" label="Show similarity matrix"/> <param name="showdissimmatrix" type="integer" value="0" min="0" max="1" label="Show dissimilarity matrix"/> <param name="showmode" type="integer" value="0" min="0" max="1" label="Show mode"/> </inputs> <outputs> <data format="html" name="output" label="Fingerprint of $input.name"/> <data format="txt" name="dendrogram" label="Newick-like Fingerprint of $input.name"/> </outputs> <citations> <!-- --> <citation type="doi">10.1089/omi.2009.0129</citation> </citations> <help> <![CDATA[ .. class:: infomark **What this tool does** This tool reads KCF glycans and uses the RINGS fingerprint to provide a linear binary based fingerprint based on the motifs found in the glycan. .. class:: infomark **Input** Any KCF glycan or glycan fingerprint (specific to this tool). .. class:: infomark **Output** Html output and a Newick-like linear tree format. .. class:: infomark **Example Input** Query sequence:: ENTRY G00015 Glycan NODE 8 1 Asn 20 0 2 GlcNAc 12 0 3 GlcNAc 3 0 4 Man -5 0 5 Man -12 5 6 Man -12 -5 7 GlcNAc -20 5 8 GlcNAc -20 -5 EDGE 7 1 2:b1 1 2 3:b1 2:4 3 4:b1 3:4 4 5:a1 4:6 5 6:a1 4:3 6 7:b1 5:2 7 8:b1 6:2 /// ENTRY G00016 Glycan NODE 9 1 Asn 20 3 2 GlcNAc 12 3 3 LFuc 4 8 4 GlcNAc 3 -2 5 Man -5 -2 6 Man -12 3 7 Man -12 -7 8 GlcNAc -20 3 9 GlcNAc -20 -7 EDGE 8 1 2:b1 1 2 3:a1 2:6 3 4:b1 2:4 4 5:b1 4:4 5 6:a1 5:6 6 7:a1 5:3 7 8:b1 6:2 8 9:b1 7:2 /// ENTRY G00017 Glycan NODE 11 1 Asn 24 3 2 GlcNAc 14 3 3 LFuc 7 8 4 GlcNAc 6 -2 5 Man -2 -2 6 Man -8 3 7 Man -8 -7 8 GlcNAc -16 3 9 GlcNAc -16 -7 10 Gal -24 3 11 Gal -24 -7 EDGE 10 1 2:b1 1 2 3:a1 2:6 3 4:b1 2:4 4 5:b1 4:4 5 6:a1 5:6 6 7:a1 5:3 7 8:b1 6:2 8 9:b1 7:2 9 10:b1 8:4 10 11:b1 9:4 /// ENTRY G00018 Glycan NODE 13 1 Asn 28 3 2 GlcNAc 18 3 3 LFuc 10 8 4 GlcNAc 9 -2 5 Man 1 -2 6 Man -5 4 7 Man -5 -8 8 GlcNAc -13 4 9 GlcNAc -13 -8 10 Gal -21 4 11 Gal -21 -8 12 Neu5Ac -29 4 13 Neu5Ac -29 -8 EDGE 12 1 2:b1 1 2 3:a1 2:6 3 4:b1 2:4 4 5:b1 4:4 5 6:a1 5:6 6 7:a1 5:3 7 8:b1 6:2 8 9:b1 7:2 9 10:b1 8:4 10 11:b1 9:4 11 12:a2 10:6 12 13:a2 11:6 /// ENTRY G00019 Glycan NODE 9 1 Asn 20 0 2 GlcNAc 12 0 3 GlcNAc 3 0 4 Man -5 0 5 Man -12 5 6 Man -12 -5 7 GlcNAc -15 0 8 GlcNAc -20 5 9 GlcNAc -20 -5 EDGE 8 1 2:b1 1 2 3:b1 2:4 3 4:b1 3:4 4 5:a1 4:6 5 6:a1 4:3 6 7:b1 4:4 7 8:b1 5:2 8 9:b1 6:2 /// ENTRY G00020 Glycan NODE 9 1 Asn 20 3 2 GlcNAc 11 3 3 GlcNAc 2 3 4 Man -6 3 5 Man -13 9 6 Man -13 -3 7 GlcNAc -21 9 8 GlcNAc -21 2 9 GlcNAc -21 -8 EDGE 8 1 2:b1 1 2 3:b1 2:4 3 4:b1 3:4 4 5:a1 4:6 5 6:a1 4:3 6 7:b1 5:2 7 8:b1 6:4 8 9:b1 6:2 /// .. class:: infomark **Example Output** The html output varies dependent on options. To see the fingerprints set show unit to 1 example output dendrogram sequence:: |||G00015_G00016|_|G00019_G00020||_|G00017_G00018|| ]]> </help> </tool>