Miscellaneous |
Version lineage of this tool (guids ordered most recent to oldest) |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/4.0.41+galaxy1 (this tool) |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/4.0.41+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/4.0.33+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/4.0.25+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/4.0.22+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/4.0.12+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/4.0.7+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/3.3.10.1 |
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/1.27.0 |
search_gui |
Requirements (dependencies defined in the <requirements> tag set) |
name | version | type |
searchgui | 4.0.41 | package |
zip | 3.0 | package |
Additional information about this tool |
#from datetime import datetime #import json #import os #set $exp_str = "Galaxy_Experiment_%s" % datetime.now().strftime("%Y%m%d%H%M%s") #set $samp_str = "Sample_%s" % datetime.now().strftime("%Y%m%d%H%M%s") #set $bin_dir = "bin" mkdir output; mkdir output_reports; mkdir temp_folder; mkdir log_folder; trap ">&2 cat log_folder/*.log" EXIT; cwd=`pwd`; export HOME=\$cwd; ## echo the search engines to run (single quotes important because X!Tandem) echo '$search_engines_options.engines'; echo 'DB: ${input_fasta_file.element_identifier} sequences: ${input_fasta_file.metadata.sequences}'; ##Create a searchgui.properties file for the version, which will be added to the searchgui_results if not already present echo 'searchgui.version=4.0.41' >> searchgui.properties; #for $peak_list_file in $peak_lists_files: #set $input_name = "" #if $peak_list_file.is_of_type("mgf"): #set $input_name = $peak_list_file.element_identifier.split('/')[-1].replace(".mgf", "") + ".mgf" #else if $peak_list_file.is_of_type("mzml"): #set $input_name = $peak_list_file.element_identifier.split('/')[-1].replace(".mzml", "") + ".mzml" #end if ln -s -f '${peak_list_file}' '${input_name}'; #set $encoded_id = $__app__.security.encode_id($peak_list_file.id) echo 'Spectrums:${peak_list_file.element_identifier}(API:${encoded_id})'; #end for ## copy the input .par file to the working folder cp '${input_parameters_file}' './SEARCHGUI_IdentificationParameters.par'; ## copy the input .fasta file to the working folder cp '${input_fasta_file}' './input_fasta_file.fasta'; ################ ## Search CLI ## ################ echo 'running search gui' && searchgui -Djava.awt.headless=true eu.isas.searchgui.cmd.SearchCLI --exec_dir="\$cwd/${bin_dir}" -use_log_folder 0 -spectrum_files \$cwd -fasta_file "\$cwd/input_fasta_file.fasta" -output_folder \$cwd/output -id_params ./SEARCHGUI_IdentificationParameters.par -temp_folder \$cwd/temp_folder -log \$cwd/log_folder -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 "${searchgui_advanced.mgf_spectrum_count}" -output_gzip "${searchgui_advanced.output_gzip}" #end if #set $engines_list = str($search_engines_options.engines).split(',') #if 'X!Tandem' in $engines_list: -xtandem 1 #else -xtandem 0 #end if #if 'MyriMatch' in $engines_list: -myrimatch 1 #else -myrimatch 0 #end if #if 'MSGF' in $engines_list: -msgf 1 #else -msgf 0 #end if #if 'OMSSA' in $engines_list: -omssa 1 #else -omssa 0 #end if #if 'Comet' in $engines_list: -comet 1 #else -comet 0 #end if #if 'Tide' in $engines_list: -tide 1 #else -tide 0 #end if #if 'MS_Amanda' in $engines_list: -ms_amanda 1 #else -ms_amanda 0 #end if #if 'Andromeda' in $engines_list: -andromeda 1 #else -andromeda 0 #end if #if 'MetaMorpheus' in $engines_list: -meta_morpheus 1 #else -meta_morpheus 0 #end if #if 'Novor' in $engines_list: -novor 1 #else -novor 0 #end if #if 'DirecTag' in $engines_list: -directag 1 #else -directag 0 #end if ## single zip file -output_option 0 ## mgf and database in output -output_data 1 && echo '>log_folder:' && ls -l \$cwd/log_folder && mv output/searchgui_out.zip searchgui_out.zip && zip -u searchgui_out.zip searchgui.properties
Functional tests |
name | inputs | outputs | required files |
Test-1 |
input_parameters_file: Identification_Parameters_default.par input_fasta_file: fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta peak_lists_files: searchgui_tinyspectra1.mgf search_engines_options|engines: ['X!Tandem', 'MSGF', 'MyriMatch', 'Comet'] |
name: value |
Identification_Parameters_default.par fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta searchgui_tinyspectra1.mgf value |
Test-2 |
input_parameters_file: Identification_Parameters_default.par input_fasta_file: searchgui_smallYeast.fasta peak_lists_files: searchgui_smallCalibratible_Yeast.mzML search_engines_options|engines: MetaMorpheus |
name: value |
Identification_Parameters_default.par searchgui_smallYeast.fasta searchgui_smallCalibratible_Yeast.mzML value |
Test-3 |
input_parameters_file: Identification_Parameters_default.par input_fasta_file: fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta peak_lists_files: searchgui_smallspectra.mgf search_engines_options|engines: MS_Amanda |
name: value |
Identification_Parameters_default.par fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta searchgui_smallspectra.mgf value |
Test-4 |
input_parameters_file: Identification_Parameters_specific.par input_fasta_file: fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta peak_lists_files: searchgui_tinyspectra1.mgf search_engines_options|engines: ['X!Tandem', 'MSGF', 'MyriMatch', 'Comet'] |
name: value |
Identification_Parameters_specific.par fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta searchgui_tinyspectra1.mgf value |
Test-5 |
input_parameters_file: Identification_Parameters_specific.par input_fasta_file: fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta peak_lists_files: searchgui_smallspectra.mgf search_engines_options|engines: MS_Amanda |
name: value |
Identification_Parameters_specific.par fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta searchgui_smallspectra.mgf value |
Test-6 |
input_parameters_file: Identification_Parameters_default_modifications.par input_fasta_file: fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta peak_lists_files: searchgui_tinyspectra1.mgf search_engines_options|engines: ['X!Tandem', 'MSGF', 'MyriMatch', 'Comet'] |
name: value |
Identification_Parameters_default_modifications.par fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta searchgui_tinyspectra1.mgf value |
Test-7 |
input_parameters_file: Identification_Parameters_default_modifications.par input_fasta_file: fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta peak_lists_files: searchgui_tinyspectra1.mgf search_engines_options|engines: MS_Amanda |
name: value |
Identification_Parameters_default_modifications.par fastacli_searchgui_tinydb1_concatenated_target_decoy.fasta searchgui_tinyspectra1.mgf value |