# HG changeset patch
# User iracooke
# Date 1433419826 14400
# Node ID 53bdfaed924d614d0ca46e023beff94eb49b3116
# Parent cd5298908bc1efd2f19c91441b1ede01f1976de8
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 5943ced37a55ac06f722af5d4ccd568c300c0ea3
diff -r cd5298908bc1 -r 53bdfaed924d peptide_shaker.xml
--- a/peptide_shaker.xml Wed Jun 03 19:38:54 2015 -0400
+++ b/peptide_shaker.xml Thu Jun 04 08:10:26 2015 -0400
@@ -161,7 +161,7 @@
]]>
-
@@ -545,7 +545,7 @@
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+
@@ -555,7 +555,7 @@
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+
@@ -571,7 +571,7 @@
-
+
diff -r cd5298908bc1 -r 53bdfaed924d searchgui.xml
--- a/searchgui.xml Wed Jun 03 19:38:54 2015 -0400
+++ b/searchgui.xml Thu Jun 04 08:10:26 2015 -0400
@@ -57,13 +57,13 @@
-xtandem_noise_suppr ${xtandem.xtandem_noise_suppr}
-xtandem_dynamic_range ${xtandem.xtandem_dynamic_range}
-xtandem_quick_acetyl ${xtandem.xtandem_quick_acetyl}
- -xtandem_quick_pyro ${xtandem.xtandem_quick_pyro}
- -xtandem_stp_bias ${xtandem.xtandem_stp_bias}
- -xtandem_evalue ${xtandem.xtandem_evalue}
- -xtandem_output_proteins ${xtandem.xtandem_output_proteins}
- -xtandem_output_sequences ${xtandem.xtandem_output_sequences}
- -xtandem_output_spectra ${xtandem.xtandem_output_spectra}
- ## -xtandem_skyline_path ${xtandem.xtandem_skyline_path}
+ -xtandem_quick_pyro ${xtandem.xtandem_quick_pyro}
+ -xtandem_stp_bias ${xtandem.xtandem_stp_bias}
+ -xtandem_evalue ${xtandem.xtandem_evalue}
+ -xtandem_output_proteins ${xtandem.xtandem_output_proteins}
+ -xtandem_output_sequences ${xtandem.xtandem_output_sequences}
+ -xtandem_output_spectra ${xtandem.xtandem_output_spectra}
+ ## -xtandem_skyline_path ${xtandem.xtandem_skyline_path}
#if $xtandem.xtandem_refine.xtandem_refine_selector == "yes"
-xtandem_refine 1
@@ -74,7 +74,7 @@
-xtandem_refine_spec_synt ${xtandem.xtandem_refine.xtandem_refine_spec_synt}
-xtandem_refine_pot ${xtandem.xtandem_refine.xtandem_refine_pot}
-xtandem_refine_pot ${xtandem.xtandem_refine.xtandem_refine_evalue}
-
+
#end if
#end if
@@ -85,38 +85,38 @@
-omssa_estimate_charge ${omssa.estimate_charge}
-omssa_memory ${omssa.omssa_memory}
- -omssa_isotopes ${omssa.omssa_isotopes}
- -omssa_neutron ${omssa.omssa_neutron}
- -omssa_low_intensity "${omssa.omssa_low_intensity}"
- -omssa_high_intensity ${omssa.omssa_high_intensity}
- -omssa_intensity_incr ${omssa.omssa_intensity_incr}
- -omssa_single_window_wd ${omssa.omssa_single_window_wd}
- -omssa_double_window_wd ${omssa.omssa_double_window_wd}
- -omssa_single_window_pk ${omssa.omssa_single_window_pk}
- -omssa_double_window_pk ${omssa.omssa_double_window_pk}
- -omssa_min_ann_int_pks ${omssa.omssa_min_ann_int_pks}
- -omssa_min_annotated_peaks ${omssa.omssa_min_annotated_peaks}
- -omssa_min_peaks ${omssa.omssa_min_peaks}
- -omssa_methionine ${omssa.omssa_methionine}
- -omssa_max_ladders ${omssa.omssa_max_ladders}
- -omssa_max_frag_charge ${omssa.omssa_max_frag_charge}
- -omssa_fraction ${omssa.omssa_fraction}
- -omssa_plus_one ${omssa.omssa_plus_one}
- -omssa_charge ${omssa.omssa_charge}
- -omssa_prec_per_spectrum ${omssa.omssa_prec_per_spectrum}
- -omssa_forward ${omssa.omssa_forward}
- -omssa_rewind ${omssa.omssa_rewind}
- -omssa_max_frag_series ${omssa.omssa_max_frag_series}
- -omssa_corr ${omssa.omssa_corr}
- -omssa_consecutive_p ${omssa.omssa_consecutive_p}
- -omssa_it_sequence_evalue ${omssa.omssa_it_sequence_evalue}
- -omssa_it_spectrum_evalue ${omssa.omssa_it_spectrum_evalue}
- -omssa_it_replace_evalue ${omssa.omssa_it_replace_evalue}
- -omssa_max_evalue ${omssa.omssa_max_evalue}
- -omssa_hitlist_charge ${omssa.omssa_hitlist_charge}
- -omssa_min_pep_length ${omssa.omssa_min_pep_length}
- -omssa_max_pep_length ${omssa.omssa_max_pep_length}
- -omssa_format ${omssa.omssa_format}
+ -omssa_isotopes ${omssa.omssa_isotopes}
+ -omssa_neutron ${omssa.omssa_neutron}
+ -omssa_low_intensity "${omssa.omssa_low_intensity}"
+ -omssa_high_intensity ${omssa.omssa_high_intensity}
+ -omssa_intensity_incr ${omssa.omssa_intensity_incr}
+ -omssa_single_window_wd ${omssa.omssa_single_window_wd}
+ -omssa_double_window_wd ${omssa.omssa_double_window_wd}
+ -omssa_single_window_pk ${omssa.omssa_single_window_pk}
+ -omssa_double_window_pk ${omssa.omssa_double_window_pk}
+ -omssa_min_ann_int_pks ${omssa.omssa_min_ann_int_pks}
+ -omssa_min_annotated_peaks ${omssa.omssa_min_annotated_peaks}
+ -omssa_min_peaks ${omssa.omssa_min_peaks}
+ -omssa_methionine ${omssa.omssa_methionine}
+ -omssa_max_ladders ${omssa.omssa_max_ladders}
+ -omssa_max_frag_charge ${omssa.omssa_max_frag_charge}
+ -omssa_fraction ${omssa.omssa_fraction}
+ -omssa_plus_one ${omssa.omssa_plus_one}
+ -omssa_charge ${omssa.omssa_charge}
+ -omssa_prec_per_spectrum ${omssa.omssa_prec_per_spectrum}
+ -omssa_forward ${omssa.omssa_forward}
+ -omssa_rewind ${omssa.omssa_rewind}
+ -omssa_max_frag_series ${omssa.omssa_max_frag_series}
+ -omssa_corr ${omssa.omssa_corr}
+ -omssa_consecutive_p ${omssa.omssa_consecutive_p}
+ -omssa_it_sequence_evalue ${omssa.omssa_it_sequence_evalue}
+ -omssa_it_spectrum_evalue ${omssa.omssa_it_spectrum_evalue}
+ -omssa_it_replace_evalue ${omssa.omssa_it_replace_evalue}
+ -omssa_max_evalue ${omssa.omssa_max_evalue}
+ -omssa_hitlist_charge ${omssa.omssa_hitlist_charge}
+ -omssa_min_pep_length ${omssa.omssa_min_pep_length}
+ -omssa_max_pep_length ${omssa.omssa_max_pep_length}
+ -omssa_format ${omssa.omssa_format}
#end if
#if $msgf.msgf_advanced == "yes"
@@ -126,20 +126,20 @@
-msgf_termini ${msgf.msgf_termini}
-msgf_num_ptms ${msgf.msgf_num_ptms}
-msgf_instrument ${msgf.msgf_instrument}
- -msgf_fragmentation ${msgf.msgf_fragmentation}
- -msgf_protocol ${msgf.msgf_protocol}
- -msgf_num_matches ${msgf.msgf_num_matches}
- -msgf_additional ${msgf.msgf_additional}
- -msgf_isotope_low ${msgf.msgf_isotope_low}
- -msgf_isotope_high ${msgf.msgf_isotope_high}
+ -msgf_fragmentation ${msgf.msgf_fragmentation}
+ -msgf_protocol ${msgf.msgf_protocol}
+ -msgf_num_matches ${msgf.msgf_num_matches}
+ -msgf_additional ${msgf.msgf_additional}
+ -msgf_isotope_low ${msgf.msgf_isotope_low}
+ -msgf_isotope_high ${msgf.msgf_isotope_high}
#end if
-
+
#if $ms_amanda.ms_amanda_advanced == "yes"
- -ms_amanda_decoy ${ms_amanda.ms_amanda_decoy}
- -ms_amanda_max_evalue ${ms_amanda.ms_amanda_max_evalue}
- -ms_amanda_instrument ${ms_amanda.ms_amanda_instrument}
- -ms_amanda_max_rank ${ms_amanda.ms_amanda_max_rank}
- -ms_amanda_mono ${ms_amanda.ms_amanda_mono}
+ -ms_amanda_decoy ${ms_amanda.ms_amanda_decoy}
+ -ms_amanda_max_evalue ${ms_amanda.ms_amanda_max_evalue}
+ -ms_amanda_instrument ${ms_amanda.ms_amanda_instrument}
+ -ms_amanda_max_rank ${ms_amanda.ms_amanda_max_rank}
+ -ms_amanda_mono ${ms_amanda.ms_amanda_mono}
#end if
#if $myrimatch.myrimatch_advanced == "yes"
@@ -159,7 +159,7 @@
-myrimatch_intensity_classes ${myrimatch.myrimatch_intensity_classes}
-myrimatch_class_multiplier ${myrimatch.myrimatch_class_multiplier}
-myrimatch_num_batches ${myrimatch.myrimatch_num_batches}
- -myrimatch_max_peak ${myrimatch.myrimatch_max_peak}
+ -myrimatch_max_peak ${myrimatch.myrimatch_max_peak}
#end if
#if $tide.tide_advanced == "yes"
@@ -201,47 +201,44 @@
-tide_remove_temp ${tide.tide_remove_temp}
#end if
+ #if $comet.comet_advanced == "yes"
- #if $comet.comet_advanced == "yes"
-
- #if $comet.comet_spectrum.comet_spectrum_selector == "yes"
- -comet_min_peaks ${comet.comet_spectrum.comet_min_peaks}
- -comet_min_peak_int ${comet.comet_spectrum.comet_min_peak_int}
- -comet_remove_prec ${comet.comet_spectrum.comet_remove_prec}
-
-
- #if $comet.comet_spectrum.comet_remove_prec == "1"
- -comet_remove_prec_tol ${comet.comet_spectrum.comet_remove_prec_tol}
- #end if
-
- #if $comet.comet_spectrum.comet_remove_prec == "2"
- -comet_remove_prec_tol ${comet.comet_spectrum.comet_remove_prec_tol}
- #end if
-
- -comet_clear_mz_range_lower ${comet.comet_spectrum.comet_clear_mz_range_lower}
- -comet_clear_mz_range_upper ${comet.comet_spectrum.comet_clear_mz_range_upper}
+ #if $comet.comet_spectrum.comet_spectrum_selector == "yes"
+ -comet_min_peaks ${comet.comet_spectrum.comet_min_peaks}
+ -comet_min_peak_int ${comet.comet_spectrum.comet_min_peak_int}
+ -comet_remove_prec ${comet.comet_spectrum.comet_remove_prec}
+
+
+ #if $comet.comet_spectrum.comet_remove_prec == "1"
+ -comet_remove_prec_tol ${comet.comet_spectrum.comet_remove_prec_tol}
+ #end if
+
+ #if $comet.comet_spectrum.comet_remove_prec == "2"
+ -comet_remove_prec_tol ${comet.comet_spectrum.comet_remove_prec_tol}
+ #end if
+
+ -comet_clear_mz_range_lower ${comet.comet_spectrum.comet_clear_mz_range_lower}
+ -comet_clear_mz_range_upper ${comet.comet_spectrum.comet_clear_mz_range_upper}
#end if
-
+
#if $comet.comet_search.comet_search_selector == "yes"
- -comet_enzyme_type ${comet.comet_search.comet_enzyme_type}
- -comet_isotope_correction ${comet.comet_search.comet_isotope_correction}
- -comet_min_prec_mass ${comet.comet_search.comet_min_prec_mass}
- -comet_max_prec_mass ${comet.comet_search.comet_max_prec_mass}
- -comet_num_matches ${comet.comet_search.comet_num_matches}
- -comet_max_frag_charge ${comet.comet_search.comet_max_frag_charge}
- -comet_remove_meth ${comet.comet_search.comet_remove_meth}
- -comet_batch_size ${comet.comet_search.comet_batch_size}
- -comet_num_ptms ${comet.comet_search.comet_num_ptms}
- #end if
-
+ -comet_enzyme_type ${comet.comet_search.comet_enzyme_type}
+ -comet_isotope_correction ${comet.comet_search.comet_isotope_correction}
+ -comet_min_prec_mass ${comet.comet_search.comet_min_prec_mass}
+ -comet_max_prec_mass ${comet.comet_search.comet_max_prec_mass}
+ -comet_num_matches ${comet.comet_search.comet_num_matches}
+ -comet_max_frag_charge ${comet.comet_search.comet_max_frag_charge}
+ -comet_remove_meth ${comet.comet_search.comet_remove_meth}
+ -comet_batch_size ${comet.comet_search.comet_batch_size}
+ -comet_num_ptms ${comet.comet_search.comet_num_ptms}
+ #end if
+
#if $comet.comet_fragment_ions.comet_fragment_ions_selector == "yes"
- -comet_frag_bin_offset ${comet.comet_fragment_ions.comet_frag_bin_offset}
- -comet_sparse_matrix ${comet.comet_fragment_ions.comet_sparse_matrix}
- -comet_theoretical_fragment_ions ${comet.comet_fragment_ions.comet_theoretical_fragment_ions}
-
+ -comet_frag_bin_offset ${comet.comet_fragment_ions.comet_frag_bin_offset}
+ -comet_sparse_matrix ${comet.comet_fragment_ions.comet_sparse_matrix}
+ -comet_theoretical_fragment_ions ${comet.comet_fragment_ions.comet_theoretical_fragment_ions}
#end if
-
- #end if
+ #end if
2> $temp_stderr)
&&
@@ -257,12 +254,12 @@
-threads "\${GALAXY_SLOTS:-12}"
- #if $searchgui_advanced.searchgui_advanced_selector == 'advanced'
- -correct_titles "${searchgui_advanced.correct_titles}"
- $searchgui_advanced.missing_titles
- -mgf_splitting "${searchgui_advanced.mgf_splitting}"
- -mgf_spectrum_count "${searchgui_advanced.mgf_spectrum_count}"
- #end if
+ #if $searchgui_advanced.searchgui_advanced_selector == 'advanced'
+ -correct_titles "${searchgui_advanced.correct_titles}"
+ $searchgui_advanced.missing_titles
+ -mgf_splitting "${searchgui_advanced.mgf_splitting}"
+ -mgf_spectrum_count "${searchgui_advanced.mgf_spectrum_count}"
+ #end if
## Turn of the protein tree generation as it can produce errors if the search is finished before the tree is created
## the tree is generated afterwards in PeptideShaker
@@ -270,38 +267,38 @@
##-makeblastdb_folder \$BLAST_ROOT_DIR
- #set $engines_list = str($engines).split(',')
- #if 'X!Tandem' in $engines_list:
+ #set $engines_list = str($engines).split(',')
+ #if 'X!Tandem' in $engines_list:
-xtandem 1
#else
-xtandem 0
#end if
- #if 'MyriMatch' in $engines_list:
+ #if 'MyriMatch' in $engines_list:
-myrimatch 1
#else
-myrimatch 0
#end if
- #if 'MSGF' in $engines_list:
+ #if 'MSGF' in $engines_list:
-msgf 1
#else
-msgf 0
#end if
- #if 'OMSSA' in $engines_list:
+ #if 'OMSSA' in $engines_list:
-omssa 1
#else
-omssa 0
#end if
- #if 'Comet' in $engines_list:
+ #if 'Comet' in $engines_list:
-comet 1
#else
-comet 0
#end if
- #if 'Tide' in $engines_list:
+ #if 'Tide' in $engines_list:
-tide 1
#else
-tide 0
@@ -344,7 +341,7 @@
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label="X!Tandem: Min Precursor Mass" help="Minimum mass of 1+ mass of parent ion to be considered"/>
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label="TIDE: Minimum Precursor Mass" help="Set the minimum precursor mass to be considered"/>
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**What it does**
Runs multiple search engines on any number of MGF peak lists using the SearchGUI.
-Default: X! Tandem, OMSSA and MS-GF+ are executed.
-Optional: MyriMatch, MS-Amanda, Comet and Tide can be executed.
-
+Default: X! Tandem, OMSSA and MS-GF+ are executed.
+Optional: MyriMatch, MS-Amanda, Comet and Tide can be executed.
diff -r cd5298908bc1 -r 53bdfaed924d test-data/tiny_searchgui_result1.zip
Binary file test-data/tiny_searchgui_result1.zip has changed