# HG changeset patch # User galaxyp # Date 1368219974 14400 # Node ID 35cf23cd8c3d16285bbdfa1497653347f7f36597 Initial commit. diff -r 000000000000 -r 35cf23cd8c3d LICENSE --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/LICENSE Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,202 @@ + + Apache License + Version 2.0, January 2004 + http://www.apache.org/licenses/ + + TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION + + 1. Definitions. + + "License" shall mean the terms and conditions for use, reproduction, + and distribution as defined by Sections 1 through 9 of this document. + + "Licensor" shall mean the copyright owner or entity authorized by + the copyright owner that is granting the License. + + "Legal Entity" shall mean the union of the acting entity and all + other entities that control, are controlled by, or are under common + control with that entity. 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We also recommend that a + file or class name and description of purpose be included on the + same "printed page" as the copyright notice for easier + identification within third-party archives. + + Copyright [yyyy] [name of copyright owner] + + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. diff -r 000000000000 -r 35cf23cd8c3d README.md --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.md Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,25 @@ +This repository contains tool wrappers for the Tabb lab tools +idqonvert, myrimatch, and tagrecon. There is also an IDPicker3 tool +wrapper, but it does not work due to bugs in IDPicker3's file merging +functionality.# Obtaining Tools + +Repositories for all Galaxy-P tools can be found at +https:/bitbucket.org/galaxyp/. + +# Contact + +Please send suggestions for improvements and bug reports to +jmchilton@gmail.com. + +# License + +All Galaxy-P tools are licensed under the Apache License Version 2.0 +unless otherwise documented. + +# Tool Versioning + +Galaxy-P tools will have versions of the form X.Y.Z. Versions +differing only after the second decimal should be completely +compatible with each other. Breaking changes should result in an +increment of the number before and/or after the first decimal. All +tools of version less than 1.0.0 should be considered beta. diff -r 000000000000 -r 35cf23cd8c3d README_GALAXYP.md --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README_GALAXYP.md Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,22 @@ +# Obtaining Tools + +Repositories for all Galaxy-P tools can be found at +https:/bitbucket.org/galaxyp/. + +# Contact + +Please send suggestions for improvements and bug reports to +jmchilton@gmail.com. + +# License + +All Galaxy-P tools are licensed under the Apache License Version 2.0 +unless otherwise documented. + +# Tool Versioning + +Galaxy-P tools will have versions of the form X.Y.Z. Versions +differing only after the second decimal should be completely +compatible with each other. Breaking changes should result in an +increment of the number before and/or after the first decimal. All +tools of version less than 1.0.0 should be considered beta. diff -r 000000000000 -r 35cf23cd8c3d README_REPO.md --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README_REPO.md Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,4 @@ +This repository contains tool wrappers for the Tabb lab tools +idqonvert, myrimatch, and tagrecon. There is also an IDPicker3 tool +wrapper, but it does not work due to bugs in IDPicker3's file merging +functionality. \ No newline at end of file diff -r 000000000000 -r 35cf23cd8c3d idpicker.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/idpicker.xml Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,56 @@ + + + Assemble parsimonious protien identifications. + + + # Simple format group:group_name followed by pairs of name:name and path:path lines +#for $group in $groups: +group:$group.group_name +#for $idpdb_input in $group.idpdb_inputs: +name:${idpdb_input.display_name} +path:${idpdb_input} +#end for +#end for + + + + idpicker_wrapper.py --input $group_config --output $output + + + + + + + + + + + + + idpicker + + +**WARNING** + +This tool does not current work. + +**What it does** + + + +** Building Groups ** + +Build arbitrary hierarchy by nesting groups with colon (e.g. control:666Gx6). + +http://fenchurch.mc.vanderbilt.edu/bumbershoot/idpicker/index_files/image003.gif + +------ + + +**Citation** + +For the underlying tool, please cite `TODO` + +If you use this tool in Galaxy, please cite TODO + + \ No newline at end of file diff -r 000000000000 -r 35cf23cd8c3d idpicker_wrapper.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/idpicker_wrapper.py Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,26 @@ +#!/usr/bin/env python +import optparse +import sys +import os + + +def stop_err(msg): + sys.stderr.write("%s\n" % msg) + sys.exit(-1) + + +def build_groups(input): + os.makedir("input_directory") + + +def main(): + parser = optparse.OptionParser() + parser.add_option('--input') + parser.add_option('--output') + (options, args) = parser.parse_args() + if not len(options.input): + stop_err("No input file found") + build_groups(options.input) + +if __name__ == '__main__': + main() diff -r 000000000000 -r 35cf23cd8c3d idpqonvert.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/idpqonvert.xml Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,217 @@ + + + + Prepare identification results for IDPicker. + + + #set $db_name = $input_database.display_name.replace(".fasta", "") + ".fasta" + #set $input_name = $input.display_name + #set $output_name = $input_name.split(".")[0] + ".idpDB" + ln -s '$input' '${input_name}'; + ln -s '$input_database' '${db_name}'; + idpQonvert -DecoyPrefix '${decoy_prefix}' \ + -WriteQonversionDetails true \ + -ProteinDatabase '${db_name}' \ + -MaxFDR $max_fdr \ + -EmbedSpectrumScanTimes false \ + -EmbedSpectrumSources false \ + #if $scoring.override_scoring + #set $score_info = [] + #for $engine in ["myrimatch:mvh", "xcorr", "sequest:xcorr", "sequest:deltacn", "mascot:score", "x!tandem:expect", "x!tandem:hyperscore", "ms-gf:spacevalue"] + #set $weight = $getVar("scoring." + $engine.replace(":", "_").replace("!","") + "_weight.value") + #set $type = $getVar("scoring." + $engine.replace(":", "_").replace("!","") + "_type.value") + #set $score_info = $score_info + [str($weight) + " " + $type + " " + $engine] + #continue + #end for + #set $score_str = "; ".join($score_info) + -ScoreInfo '$score_str' \ + #end if + #if $advanced_options.use_advanced_options + -MaxImportFDR $advanced_options.max_import_fdr \ + -MaxResultRank $advanced_options.max_result_rank \ + -RerankMatches $advanced_options.rerank_matches \ + -Gamma $advanced_options.gamma \ + -Nu $advanced_options.nu \ + -PolynomialDegree $advanced_options.polynomial_degree \ + -TruePositiveThreshold $advanced_options.true_positive_threshold \ + -MaxTrainingRank $advanced_options.max_training_rank \ + -SVMType $advanced_options.svm_type \ + -Kernel $advanced_options.kernel \ + -ChargeStateHandling $advanced_options.charge_state_handling \ + -QonverterMethod $advanced_options.qonverter_method \ + -MinPartitionSize $advanced_options.min_partition_size \ + #end if + '${input_name}'; + mv '$output_name' output + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + idpqonvert + + +**What it does** + +------ + +**Citation** + +For the underlying tool, please cite `TODO` + +If you use this tool in Galaxy, please cite TODO + + + diff -r 000000000000 -r 35cf23cd8c3d myrimatch.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/myrimatch.xml Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,192 @@ + + + + #set $mod_rep_chars = "*$^@.%!" + #set $db_name = $input_database.display_name.replace(".fasta", "") + ".fasta" + #if $output_type.value == "mzid" + #set $output_ext="mzid" + #set $output_format="mzIdentML" + #else + #set $output_ext="pepXML" + #set $output_format="pepXML" + #end if + #set $input_name = $input.display_name + #set $output_name = $input_name.split(".")[0] + "." + $output_ext + #set $static_mods_str = "" + #for $static_mod in $static_mods + #set $static_mods_str = $static_mods_str + "" + str($static_mod.aa) + " " + str($static_mod.mass) + #end for + #set $dynamic_mods_str = "" + #set $dynamic_mod_index = 0 + #for $dynamic_mod in $dynamic_mods + #set $dynamic_mods_str = $dynamic_mods_str + "" + str($dynamic_mod.motif) + " " + $mod_rep_chars[$dynamic_mod_index] + " " + str($dynamic_mod.mass) + #set $dynamic_mod_index = $dynamic_mod_index + 1 + #end for + ln -s '$input' '${input_name}'; + ln -s '$input_database' '${db_name}'; + myrimatch -DecoyPrefix '${decoy_prefix}' \ + -ProteinDatabase '${db_name}' \ + -OutputFormat '${$output_format}' \ + '${input_name}' \ + -StaticMods '${static_mods_str}' \ + -DynamicMods '${dynamic_mods_str}' \ + -CleavageRules '${protease}' \ + #set $percursor_type = $percursor_tolerance.percursor_type + -PrecursorMzToleranceRule '${percursor_type}' \ + #if $percursor_type == "auto" or $percursor_type == "mono" + -MonoPrecursorMzTolerance '${percursor_tolerance.mono_precursor_mz_tolerance}${percursor_tolerance.mono_precursor_mz_tolerance_units}' \ + #end if + #if $percursor_type == "auto" or $percursor_type == "avg" + -AvgPrecursorMzTolerance '${percursor_tolerance.avg_precursor_mz_tolerance}${percursor_tolerance.avg_precursor_mz_tolerance_units}' \ + #end if + -FragmentMzTolerance '${fragment_mz_tolerance}${fragment_mz_tolerance_units}' \ + #if $advanced.use_advanced + -UseSmartPlusThreeModel $advanced.use_smart_plus_three_model \ + -MinPeptideLength $advanced.min_peptide_length \ + -MaxPeptideLength $advanced.max_peptide_length \ + #if $advanced.max_peak_count + -MaxPeakCount $advanced.max_peak_count \ + #end if + #if $advanced.fragmentation_rule.override + -FragmentationAutoRule false -FragmentationRule 'manual:${advanced.fragmentation_rule.fragmentation_rule}' \ + #end if + #end if + ; + mv '$output_name' output + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + myrimatch + + + +**What it does** + +Performs protein identification via database search using MyriMatch. + +------ + +**Citation** + +For the underlying tool, please cite `MyriMatch: highly accurate tandem mass spectral peptide identification by multivariate hypergeometric analysis. Tabb DL, Fernando CG, Chambers MC. J Proteome Res. 6(2) 654-61. 2007 Feb. PMCID PMC2525619` + +If you use this tool in Galaxy, please cite TODO + + diff -r 000000000000 -r 35cf23cd8c3d tagrecon.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tagrecon.xml Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,210 @@ + + + + #set $db_name = $input_database.display_name.replace(".fasta", "") + ".fasta" + #if $output_type.value == "mzid" + #set $output_ext="mzid" + #set $output_format="mzIdentML" + #else + #set $output_ext="pepXML" + #set $output_format="pepXML" + #end if + #set $input_name = $input.display_name + #set $tags_name = $input_name.split(".")[0] + ".tags" + #set $output_name = $input_name.split(".")[0] + "." + $output_ext + #set $static_mods_str = "" + #for $static_mod in $static_mods + #set $static_mods_str = $static_mods_str + "" + str($static_mod.aa) + " " + str($static_mod.mass) + #end for + #set $dynamic_mods_str = "" + #set $dynamic_mod_index = 0 + #for $dynamic_mod in $dynamic_mods + #set $dynamic_mods_str = $dynamic_mods_str + "" + str($dynamic_mod.motif) + " " + $mod_rep_chars[$dynamic_mod_index] + " " + str($dynamic_mod.mass) + #set $dynamic_mod_index = $dynamic_mod_index + 1 + #end for + ln -s '$input' '${input_name}'; + ln -s '$input_database' '${db_name}'; + cp \${TAGRECON_UNIMOD_PATH:-${GALAXY_DATA_INDEX_DIR}/unimod.xml} .; + cp \${TAGRECON_BLOSUM_PATH:-${GALAXY_DATA_INDEX_DIR}/blosum62.fas} .; + directag '${input_name}' \ + -StaticMods '${static_mods_str}' \ + -DynamicMods '${dynamic_mods_str}' \ + -MaxDynamicMods '$max_dynamic_mods' \ + -MaxResults ${max_tags} \ + -FragmentMzTolerance ${tag_mz_tolerance} \ + #if $advanced_charge_options.specify + -UseChargeStateFromMS $advanced_charge_options.use_ms_charge_state \ + #end if + #if $tag_weights.specify + -IntensityScoreWeight $tag_weights.intensity \ + -MzFidelityScoreWeight $tag_weights.mz \ + -ComplementScoreWeight $tag_weights.complement \ + #end if + ; + tagrecon -DecoyPrefix '${decoy_prefix}' \ + -ProteinDatabase '${db_name}' \ + -OutputFormat '${$output_format}' \ + -StaticMods '${static_mods_str}' \ + -DynamicMods '${dynamic_mods_str}' \ + -MaxDynamicMods '$max_dynamic_mods' \ + -CleavageRules '${protease}' \ + -MaxMissedCleavages ${max_missed_cleavages} \ + #if $advanced_cleavage_options.specify + -MinTerminiCleavages $advanced_cleavage_options.min_termini_cleavages \ + -UseNETAdjustment $advanced_cleavage_options.use_net_adjustment \ + #end if + #if $advanced_charge_options.specify + -UseChargeStateFromMS $advanced_charge_options.use_ms_charge_state \ + #end if + #if $search_untagged.search + -SearchUntaggedSpectra true \ + -UntaggedSpectraPrecMZTol $search_untagged.precursor_mz_tolerance + #end if + '${tags_name}'; + mv '$output_name' output + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + directag + tagrecon + + + +**What it does** + +Performs protein identification via Directag and TagRecon. + +------ + +**Citation** + +For the underlying tool, please cite `TODO`. + +If you use this tool in Galaxy, please cite TODO. + + + diff -r 000000000000 -r 35cf23cd8c3d update.sh --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/update.sh Fri May 10 17:06:14 2013 -0400 @@ -0,0 +1,35 @@ +#!/bin/bash + +LICENSE_FILE=LICENSE +# Ensure repository contains license file. +if [ ! -e "$LICENSE_FILE" ]; +then + wget http://www.apache.org/licenses/LICENSE-2.0.txt -O "$LICENSE_FILE" +fi + +# Run repository specific update actions. +if [ -f update_repo.sh ]; +then + ./update_repo.sh +fi + +wget https://raw.github.com/gist/3749747/README_GALAXYP.md -O README_GALAXYP.md + +# Create repository README +if [ ! -e README_REPO.md ]; +then + echo "TODO: Document this tool repository." > README_REPO.md +fi +cat README_REPO.md README_GALAXYP.md > README.md + + +# If version file exists, update all tools to this version +VERSION_FILE=version +if [ -e "$VERSION_FILE" ]; +then + VERSION=`cat $VERSION_FILE` + + # Replace tool version in each tool XML file ` + find -iname "*xml" -exec sed -i'' -e '0,/version="\(.\+\)"/s/version="\(.\+\)"/version="'$VERSION'"/1g' {} \; + +fi