Miscellaneous |
Version lineage of this tool (guids ordered most recent to oldest) |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_rnpxlsearch/RNPxlSearch/3.1+galaxy0 (this tool) |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_rnpxlsearch/RNPxlSearch/2.8+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_rnpxlsearch/RNPxlSearch/2.6+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_rnpxlsearch/RNPxlSearch/2.5+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_rnpxlsearch/RNPxlSearch/2.3.0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_rnpxlsearch/RNPxlSearch/2.2.0 |
RNPxlSearch |
Requirements (dependencies defined in the <requirements> tag set) |
name | version | type |
openms | 3.1 | package |
openms-thirdparty | 3.1 | package |
blast | 2.14.1 | package |
ctdopts | 1.5 | package |
Additional information about this tool |
#def quote(s): #set $s = [ _ for _ in $s.split(" ") if _ != "" ] #set $q = False #for $i, $p in enumerate($s): #if $p == "": #continue #end if #if $p.startswith('"'): #set $q = True #end if ## #if p.startswith('-'): ## #set p = "\\" + p ## #elif p.startswith('"-'): ## #set p = "\\" + p[1:] ## #end if #if not $q: #set $s[i] = '"%s"' % p #end if #if $p.endswith('"'): #set $q = False #end if #end for #return " ".join($s) #end def #def oms2gxyext(o) #set m={'txt': 'txt', 'tsv': 'tabular', 'bioml': 'xml', 'consensusXML': 'consensusxml', 'csv': 'csv', 'dta': 'dta', 'dta2d': 'dta2d', 'edta': 'edta', 'fa': 'fasta', 'fas': 'fasta', 'fasta': 'fasta', 'FASTA': 'fasta', 'featureXML': 'featurexml', 'featurexml': 'featurexml', 'html': 'html', 'HTML': 'html', 'idXML': 'idxml', 'json': 'json', 'kroenik': 'kroenik', 'mascotXML': 'mascotxml', 'mgf': 'mgf', 'mrm': 'mrm', 'ms': 'sirius.ms', 'ms2': 'ms2', 'msp': 'msp', 'mzData': 'mzdata', 'mzid': 'mzid', 'mzML': 'mzml', 'mzml': 'mzml', 'mzq': 'mzq', 'mzQC': 'mzqc', 'mzTab': 'mztab', 'mzXML': 'mzxml', 'novor': 'txt', 'obo': 'obo', 'oms': 'sqlite', 'omssaXML': 'idxml', 'osw': 'osw', 'OSW': 'osw', 'params': 'txt', 'paramXML': 'paramxml', 'peplist': 'peplist', 'pep.xml': 'pepxml', 'pepXML': 'pepxml', 'png': 'png', 'PNG': 'png', 'protXML': 'protxml', 'psms': 'psms', 'pqp': 'pqp', 'qcML': 'qcml', 'spec.xml': 'spec.xml', 'splib': 'splib', 'sqMass': 'sqmass', 'tandem.xml': 'tandem', 'trafoXML': 'trafoxml', 'traML': 'traml', 'TraML': 'traml', 'tab': 'tabular', 'raw': 'thermo.raw', 'xls': 'tsv', 'XML': 'xml', 'xml': 'xml', 'xquest.xml': 'xquest.xml', 'xsd': 'xsd', 'zip': 'zip'} #return m[o] #end def #def gxy2omsext(g) #set m={'txt': 'txt', 'tabular': 'tsv', 'xml': 'bioml', 'consensusxml': 'consensusXML', 'csv': 'csv', 'dta': 'dta', 'dta2d': 'dta2d', 'edta': 'edta', 'fasta': 'fa', 'featurexml': 'featureXML', 'html': 'html', 'idxml': 'idXML', 'json': 'json', 'kroenik': 'kroenik', 'mascotxml': 'mascotXML', 'mgf': 'mgf', 'mrm': 'mrm', 'sirius.ms': 'ms', 'ms2': 'ms2', 'msp': 'msp', 'mzdata': 'mzData', 'mzid': 'mzid', 'mzml': 'mzML', 'mzq': 'mzq', 'mzqc': 'mzQC', 'mztab': 'mzTab', 'mzxml': 'mzXML', 'obo': 'obo', 'sqlite': 'oms', 'osw': 'osw', 'paramxml': 'paramXML', 'peff': 'fasta', 'peplist': 'peplist', 'pepxml': 'pep.xml', 'png': 'png', 'protxml': 'protXML', 'psms': 'psms', 'pqp': 'pqp', 'qcml': 'qcML', 'spec.xml': 'spec.xml', 'splib': 'splib', 'sqmass': 'sqMass', 'tandem': 'tandem.xml', 'trafoxml': 'trafoXML', 'traml': 'traML', 'thermo.raw': 'raw', 'tsv': 'xls', 'xquest.xml': 'xquest.xml', 'xsd': 'xsd', 'zip': 'zip'} #return m[g] #end def #import re ## Preprocessing mkdir in && cp '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' && mkdir database && cp '$database' 'database/${re.sub("[^\w\-_]", "_", $database.element_identifier)}.$gxy2omsext($database.ext)' && mkdir out && #if "out_tsv_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir out_tsv && #end if ## Main program call set -o pipefail && RNPxlSearch -write_ctd ./ && python3 '$__tool_directory__/fill_ctd.py' 'RNPxlSearch.ctd' '$args_json' '$hardcoded_json' && RNPxlSearch -ini RNPxlSearch.ctd -in 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' -database 'database/${re.sub("[^\w\-_]", "_", $database.element_identifier)}.$gxy2omsext($database.ext)' -out 'out/output.${gxy2omsext("idxml")}' #if "out_tsv_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -out_tsv 'out_tsv/output.${gxy2omsext("tabular")}' #end if #if len(str($OPTIONAL_OUTPUTS).split(',')) == 0 | tee '$stdout' #end if ## Postprocessing && mv 'out/output.${gxy2omsext("idxml")}' '$out' #if "out_tsv_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'out_tsv/output.${gxy2omsext("tabular")}' '$out_tsv' #end if #if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS && mv 'RNPxlSearch.ctd' '$ctd_out' #end if
Functional tests |
name | inputs | outputs | required files |
Test-1 |
in: RNPxlSearch_1_input.mzML database: RNPxlSearch_1_input.fasta precursor|mass_tolerance: 20.0 precursor|mass_tolerance_unit: ppm precursor|min_charge: 2 precursor|max_charge: 5 precursor|isotopes: 0 1 fragment|mass_tolerance: 20.0 fragment|mass_tolerance_unit: ppm modifications|variable: Oxidation (M) modifications|variable_max_per_peptide: 2 peptide|min_size: 6 peptide|max_size: 1000000 peptide|missed_cleavages: 1 peptide|enzyme: Trypsin report|top_hits: 1 RNPxl|length: 2 RNPxl|sequence: GUA RNPxl|target_nucleotides: "A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P" RNPxl|mapping: "A->A" "C->C" "G->G" "U->U" RNPxl|can_cross_link: U RNPxl|fragment_adducts: "U:C9H10N2O5;U-H3PO4" "U:C4H4N2O2;U'" "U:C4H2N2O1;U'-H2O" "U:C3O;C3O" "U:C9H13N2O9P1;U" "U:C9H11N2O8P1;U-H2O" "U:C9H12N2O6;U-HPO3" RNPxl|modifications: "U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3" RNPxl|scoring: fast RNPxl|decoys: False RNPxl|CysteineAdduct: False RNPxl|filter_fractional_mass: False RNPxl|carbon_labeled_fragments: False RNPxl|only_xl: False RNPxl|filter_small_peptide_mass: 600.0 RNPxl|marker_ions_tolerance: 0.05 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ctd_out_FLAG |
name: value name: value |
RNPxlSearch_1_input.mzML RNPxlSearch_1_input.fasta value |
Test-2 |
in: RNPxlSearch_1_input.mzML database: RNPxlSearch_1_input.fasta precursor|mass_tolerance: 20.0 precursor|mass_tolerance_unit: ppm precursor|min_charge: 2 precursor|max_charge: 5 precursor|isotopes: 0 1 fragment|mass_tolerance: 20.0 fragment|mass_tolerance_unit: ppm modifications|variable: Oxidation (M) modifications|variable_max_per_peptide: 2 peptide|min_size: 6 peptide|max_size: 1000000 peptide|missed_cleavages: 1 peptide|enzyme: Trypsin report|top_hits: 1 RNPxl|length: 2 RNPxl|sequence: GUA RNPxl|target_nucleotides: "A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P" RNPxl|mapping: "A->A" "C->C" "G->G" "U->U" RNPxl|can_cross_link: U RNPxl|fragment_adducts: "U:C9H10N2O5;U-H3PO4" "U:C4H4N2O2;U'" "U:C4H2N2O1;U'-H2O" "U:C3O;C3O" "U:C9H13N2O9P1;U" "U:C9H11N2O8P1;U-H2O" "U:C9H12N2O6;U-HPO3" RNPxl|modifications: "U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3" RNPxl|scoring: fast RNPxl|decoys: True RNPxl|CysteineAdduct: False RNPxl|filter_fractional_mass: False RNPxl|carbon_labeled_fragments: False RNPxl|only_xl: False RNPxl|filter_small_peptide_mass: 600.0 RNPxl|marker_ions_tolerance: 0.05 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ctd_out_FLAG |
name: value name: value |
RNPxlSearch_1_input.mzML RNPxlSearch_1_input.fasta value |
Test-3 |
in: RNPxlSearch_1_input.mzML database: RNPxlSearch_1_input.fasta precursor|mass_tolerance: 10.0 precursor|mass_tolerance_unit: ppm precursor|min_charge: 2 precursor|max_charge: 5 precursor|isotopes: 0 1 fragment|mass_tolerance: 10.0 fragment|mass_tolerance_unit: ppm modifications|variable_max_per_peptide: 2 peptide|min_size: 6 peptide|max_size: 1000000 peptide|missed_cleavages: 1 peptide|enzyme: Trypsin report|top_hits: 3 RNPxl|length: 2 RNPxl|sequence: RNPxl|target_nucleotides: "A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P" RNPxl|mapping: "A->A" "C->C" "G->G" "U->U" RNPxl|can_cross_link: U RNPxl|fragment_adducts: "U:C9H10N2O5;U-H3PO4" "U:C4H4N2O2;U'" "U:C4H2N2O1;U'-H2O" "U:C3O;C3O" "U:C9H13N2O9P1;U" "U:C9H11N2O8P1;U-H2O" "U:C9H12N2O6;U-HPO3" RNPxl|modifications: "U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3" RNPxl|scoring: fast RNPxl|decoys: False RNPxl|CysteineAdduct: False RNPxl|filter_fractional_mass: False RNPxl|carbon_labeled_fragments: False RNPxl|only_xl: False RNPxl|filter_small_peptide_mass: 600.0 RNPxl|marker_ions_tolerance: 0.05 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_tsv_FLAG'] |
name: value name: value name: value |
RNPxlSearch_1_input.mzML RNPxlSearch_1_input.fasta value |
Test-4 |
in: RNPxlSearch_1_input.mzML database: RNPxlSearch_1_input.fasta precursor|mass_tolerance: 10.0 precursor|mass_tolerance_unit: ppm precursor|min_charge: 2 precursor|max_charge: 5 precursor|isotopes: 0 1 fragment|mass_tolerance: 10.0 fragment|mass_tolerance_unit: ppm modifications|variable_max_per_peptide: 2 peptide|min_size: 6 peptide|max_size: 1000000 peptide|missed_cleavages: 1 peptide|enzyme: Trypsin report|top_hits: 2 RNPxl|length: 2 RNPxl|sequence: RNPxl|target_nucleotides: "A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P" RNPxl|mapping: "A->A" "C->C" "G->G" "U->U" RNPxl|can_cross_link: U RNPxl|fragment_adducts: "U:C9H10N2O5;U-H3PO4" "U:C4H4N2O2;U'" "U:C4H2N2O1;U'-H2O" "U:C3O;C3O" "U:C9H13N2O9P1;U" "U:C9H11N2O8P1;U-H2O" "U:C9H12N2O6;U-HPO3" RNPxl|modifications: "U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3" RNPxl|scoring: fast RNPxl|decoys: True RNPxl|CysteineAdduct: False RNPxl|filter_fractional_mass: False RNPxl|carbon_labeled_fragments: False RNPxl|only_xl: False RNPxl|filter_small_peptide_mass: 600.0 RNPxl|marker_ions_tolerance: 0.05 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_tsv_FLAG'] |
name: value name: value name: value |
RNPxlSearch_1_input.mzML RNPxlSearch_1_input.fasta value |