# 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 @@ - + @@ -555,7 +555,7 @@ - + @@ -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 @@ - + @@ -357,11 +354,10 @@ - - + - + @@ -369,26 +365,26 @@ - - - - - + + + + + - + - + - + - - + + @@ -396,7 +392,7 @@ - @@ -406,24 +402,24 @@ label="X!Tandem: Min Precursor Mass" help="Minimum mass of 1+ mass of parent ion to be considered"/> - - - - - - - - - - + + + + + + + + + + @@ -444,13 +440,13 @@ + label="X!Tandem: Maximum Valid Expectation Value, refinement" type="float" value="0.01" /> - - + + @@ -464,93 +460,92 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + label="OMSSA: Map Sequences in Memory" help="Use memory mapped sequence libraries" /> + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - + @@ -572,37 +567,37 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + - + @@ -610,20 +605,20 @@ - - - - - + + + + + - + - + @@ -643,42 +638,42 @@ label="TIDE: Minimum Precursor Mass" help="Set the minimum precursor mass to be considered"/> - - - - - - - - - - - - + + + + + + + + + + + + - - - - - - - - - + + + + + + + + + - - - - + + + + - - - - - - + + + + + + - + @@ -736,49 +731,49 @@ - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + - - + + @@ -786,95 +781,94 @@ - - + + - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + - - - - - - + + + + + - + - + @@ -902,9 +896,8 @@ **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