comparison searchgui.xml @ 18:ffed32e397cb draft

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author galaxyp
date Wed, 11 Jan 2017 13:06:06 -0500
parents 2f8e9d0351a8
children ef4ac2d49ff0
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17:2f8e9d0351a8 18:ffed32e397cb
5 <macros> 5 <macros>
6 <import>macros.xml</import> 6 <import>macros.xml</import>
7 </macros> 7 </macros>
8 <requirements> 8 <requirements>
9 <requirement type="package" version="@SEARCHGUI_VERSION@">searchgui</requirement> 9 <requirement type="package" version="@SEARCHGUI_VERSION@">searchgui</requirement>
10 <!--
10 <environment_variable name="LC_ALL" action="set_to">C</environment_variable> 11 <environment_variable name="LC_ALL" action="set_to">C</environment_variable>
12 -->
11 </requirements> 13 </requirements>
12 <expand macro="stdio" /> 14 <expand macro="stdio" />
13 <command> 15 <command>
14 <![CDATA[ 16 <![CDATA[
15 #from datetime import datetime 17 #from datetime import datetime
16 #set $exp_str = "Galaxy_Experiment_%s" % datetime.now().strftime("%Y%m%d%H%M%s") 18 #set $exp_str = "Galaxy_Experiment_%s" % datetime.now().strftime("%Y%m%d%H%M%s")
17 #set $samp_str = "Sample_%s" % datetime.now().strftime("%Y%m%d%H%M%s") 19 #set $samp_str = "Sample_%s" % datetime.now().strftime("%Y%m%d%H%M%s")
18 #set $temp_stderr = "searchgui_stderr" 20 #set $temp_stderr = "searchgui_stderr"
21 #set $bin_dir = "bin"
19 22
20 mkdir output; 23 mkdir output;
21 mkdir output_reports; 24 mkdir output_reports;
22 cwd=`pwd`; 25 cwd=`pwd`;
23 export HOME=\$cwd; 26 export HOME=\$cwd;
24 27
28 ## echo the search engines to run
29 echo "$engines";
30 echo "DB: ${input_database.display_name} sequences: ${input_database.metadata.sequences}";
31
25 ##Create a searchgui.properties file for the version, which will be added to the searchgui_results if not already present 32 ##Create a searchgui.properties file for the version, which will be added to the searchgui_results if not already present
26 echo "searchgui.version=@SEARCHGUI_VERSION@" >> searchgui.properties; 33 echo "searchgui.version=@SEARCHGUI_VERSION@" >> searchgui.properties;
27
28 cp -r "\${SEARCHGUI_JAR_PATH%/*}" bin;
29 tmp_searchgui_jar_path=`echo "\$cwd/bin/\${SEARCHGUI_JAR_PATH\#\#/*/}"`;
30 34
31 #for $mgf in $peak_lists: 35 #for $mgf in $peak_lists:
32 #set $input_name = $mgf.display_name.replace(".mgf", "") + ".mgf" 36 #set $input_name = $mgf.display_name.replace(".mgf", "") + ".mgf"
33 ln -s -f '${mgf}' '${input_name}'; 37 ln -s -f '${mgf}' '${input_name}';
38 #set $encoded_id = $__app__.security.encode_id($mgf.id)
39 echo "Spectrums:${mgf.display_name}(API:${encoded_id}) ";
34 #end for 40 #end for
35 ##ln -s "${input_database}" input_database.fasta; 41 ##ln -s "${input_database}" input_database.fasta;
36 cp "${input_database}" input_database.fasta; 42 cp "${input_database}" input_database.fasta;
37 43
38 ########################################### 44 ###########################################
39 #### Creating decoy database #### 45 #### Creating decoy database ####
40 ########################################### 46 ###########################################
41 #if $create_decoy: 47 #if $create_decoy:
42 echo "Creating decoy database."; 48 echo "Creating decoy database.";
43 java -cp \$tmp_searchgui_jar_path eu.isas.searchgui.cmd.FastaCLI -in input_database.fasta -decoy && 49 searchgui eu.isas.searchgui.cmd.FastaCLI --exec_dir="\$cwd/${bin_dir}" -in input_database.fasta -decoy &&
44 rm input_database.fasta && 50 rm input_database.fasta &&
45 cp input_database_concatenated_target_decoy.fasta input_database.fasta && 51 cp input_database_concatenated_target_decoy.fasta input_database.fasta &&
46 ## ln -sf input_database_concatenated_target_decoy.fasta input_database.fasta; 52 ## ln -sf input_database_concatenated_target_decoy.fasta input_database.fasta;
47 #end if 53 #end if
48 54
49 ##################################################### 55 #####################################################
50 ## generate IdentificationParameters for SearchGUI ## 56 ## generate IdentificationParameters for SearchGUI ##
51 ##################################################### 57 #####################################################
52 58 (searchgui eu.isas.searchgui.cmd.IdentificationParametersCLI
53 (java -cp \$tmp_searchgui_jar_path eu.isas.searchgui.cmd.IdentificationParametersCLI 59 --exec_dir="\$cwd/${bin_dir}"
54 -out SEARCHGUI_IdentificationParameters.par 60 -out SEARCHGUI_IdentificationParameters.par
55 61
56 @GENERAL_PARAMETERS@ 62 @GENERAL_PARAMETERS@
57 63
58 -db input_database.fasta 64 -db input_database.fasta
194 -andromeda_frag_method ${andromeda.andromeda_frag_method} 200 -andromeda_frag_method ${andromeda.andromeda_frag_method}
195 -andromeda_max_mods ${andromeda.andromeda_max_mods} 201 -andromeda_max_mods ${andromeda.andromeda_max_mods}
196 -andromeda_min_pep_length ${andromeda.andromeda_min_pep_length} 202 -andromeda_min_pep_length ${andromeda.andromeda_min_pep_length}
197 -andromeda_max_pep_length ${andromeda.andromeda_max_pep_length} 203 -andromeda_max_pep_length ${andromeda.andromeda_max_pep_length}
198 -andromeda_max_psms ${andromeda.andromeda_max_psms} 204 -andromeda_max_psms ${andromeda.andromeda_max_psms}
205 -andromeda_decoy_mode ${andromeda.andromeda_decoy_mode}
199 #end if 206 #end if
200 *# 207 *#
201 208
202 #* Not working in tests 209 #* Not working in tests
203 #if $tide.tide_advanced == "yes" 210 #if $tide.tide_advanced == "yes"
243 #if $comet.comet_advanced == "yes" 250 #if $comet.comet_advanced == "yes"
244 251
245 #if $comet.comet_spectrum.comet_spectrum_selector == "yes" 252 #if $comet.comet_spectrum.comet_spectrum_selector == "yes"
246 -comet_min_peaks ${comet.comet_spectrum.comet_min_peaks} 253 -comet_min_peaks ${comet.comet_spectrum.comet_min_peaks}
247 -comet_min_peak_int ${comet.comet_spectrum.comet_min_peak_int} 254 -comet_min_peak_int ${comet.comet_spectrum.comet_min_peak_int}
248 -comet_remove_prec ${comet.comet_spectrum.comet_remove_prec} 255
249 256 -comet_remove_prec ${comet.comet_spectrum.comet_prec.comet_remove_prec}
250 257
251 #if $comet.comet_spectrum.comet_remove_prec == "1" 258
252 -comet_remove_prec_tol ${comet.comet_spectrum.comet_remove_prec_tol} 259 #if $comet.comet_spectrum.comet_prec.comet_remove_prec == "1"
260 -comet_remove_prec_tol ${comet.comet_spectrum.comet_prec.comet_remove_prec_tol}
253 #end if 261 #end if
254 262
255 #if $comet.comet_spectrum.comet_remove_prec == "2" 263 #if $comet.comet_spectrum.comet_prec.comet_remove_prec == "2"
256 -comet_remove_prec_tol ${comet.comet_spectrum.comet_remove_prec_tol} 264 -comet_remove_prec_tol ${comet.comet_spectrum.comet_prec.comet_remove_prec_tol}
257 #end if 265 #end if
258 266
259 -comet_clear_mz_range_lower ${comet.comet_spectrum.comet_clear_mz_range_lower} 267 -comet_clear_mz_range_lower ${comet.comet_spectrum.comet_clear_mz_range_lower}
260 -comet_clear_mz_range_upper ${comet.comet_spectrum.comet_clear_mz_range_upper} 268 -comet_clear_mz_range_upper ${comet.comet_spectrum.comet_clear_mz_range_upper}
261 #end if 269 #end if
277 -comet_sparse_matrix ${comet.comet_fragment_ions.comet_sparse_matrix} 285 -comet_sparse_matrix ${comet.comet_fragment_ions.comet_sparse_matrix}
278 -comet_theoretical_fragment_ions ${comet.comet_fragment_ions.comet_theoretical_fragment_ions} 286 -comet_theoretical_fragment_ions ${comet.comet_fragment_ions.comet_theoretical_fragment_ions}
279 #end if 287 #end if
280 #end if 288 #end if
281 289
290 #if $directtag.directtag_advanced == "yes"
291 -directag_tic_cutoff ${directtag.directag_tic_cutoff}
292 -directag_max_peak_count ${directtag.directag_max_peak_count}
293 -directag_intensity_classes ${directtag.directag_intensity_classes}
294 -directag_adjust_precursor ${directtag.directag_adjust_precursor}
295 -directag_min_adjustment ${directtag.directag_min_adjustment}
296 -directag_max_adjustment ${directtag.directag_max_adjustment}
297 -directag_adjustment_step ${directtag.directag_adjustment_step}
298 -directag_charge_states ${directtag.directag_charge_states}
299 #if str($directtag.directag_output_suffix).strip() != '':
300 -directag_output_suffix ${directtag.directag_output_suffix}
301 #end if
302 -directag_ms_charge_state ${directtag.directag_ms_charge_state}
303 -directag_duplicate_spectra ${directtag.directag_duplicate_spectra}
304 -directag_deisotoping ${directtag.directag_deisotoping}
305 -directag_isotope_tolerance ${directtag.directag_isotope_tolerance}
306 -directag_complement_tolerance ${directtag.directag_complement_tolerance}
307 -directag_tag_length ${directtag.directag_tag_length}
308 -directag_max_var_mods ${directtag.directag_max_var_mods}
309 -directag_max_tag_count ${directtag.directag_max_tag_count}
310 -directag_intensity_weight ${directtag.directag_intensity_weight}
311 -directag_fidelity_weight ${directtag.directag_fidelity_weight}
312 -directag_complement_weight ${directtag.directag_complement_weight}
313 #end if
314
315 #if $novor.novor_advanced == "yes"
316 -novor_fragmentation ${novor.novor_fragmentation}
317 -novor_mass_analyzer ${novor.novor_mass_analyzer}
318 #end if
319
282 2> $temp_stderr) 320 2> $temp_stderr)
283 && 321 &&
284 322
285 ################ 323 ################
286 ## Search CLI ## 324 ## Search CLI ##
287 ################ 325 ################
288 (java -Djava.awt.headless=true -cp \$tmp_searchgui_jar_path eu.isas.searchgui.cmd.SearchCLI 326 (searchgui -Djava.awt.headless=true eu.isas.searchgui.cmd.SearchCLI
327 --exec_dir="\$cwd/${bin_dir}"
289 -temp_folder `pwd` 328 -temp_folder `pwd`
290 -spectrum_files \$cwd 329 -spectrum_files \$cwd
291 -output_folder \$cwd/output 330 -output_folder \$cwd/output
292 -id_params SEARCHGUI_IdentificationParameters.par 331 -id_params SEARCHGUI_IdentificationParameters.par
293 332
351 390
352 #if 'Andromeda' in $engines_list: 391 #if 'Andromeda' in $engines_list:
353 -andromeda 1 392 -andromeda 1
354 #else 393 #else
355 -andromeda 0 394 -andromeda 0
395 #end if
396
397 #if 'Novor' in $engines_list:
398 -novor 1
399 #else
400 -novor 0
401 #end if
402
403 #if 'DirecTag' in $engines_list:
404 -directag 1
405 #else
406 -directag 0
356 #end if 407 #end if
357 408
358 ## single zip file 409 ## single zip file
359 -output_option 0 410 -output_option 0
360 411
394 445
395 <!-- Search Engine Selection --> 446 <!-- Search Engine Selection -->
396 <param name="engines" type="select" display="checkboxes" multiple="True" label="DB-Search Engines"> 447 <param name="engines" type="select" display="checkboxes" multiple="True" label="DB-Search Engines">
397 <help>Comet and Tide shouldn't both be selected since they use a similar algoritm.</help> 448 <help>Comet and Tide shouldn't both be selected since they use a similar algoritm.</help>
398 <option value="X!Tandem" selected="True">X!Tandem</option> 449 <option value="X!Tandem" selected="True">X!Tandem</option>
399 <!-- Not working in tests 450
400 <option value="MyriMatch">MyriMatch</option>
401 <option value="MS_Amanda">MS_Amanda</option>
402 -->
403 <option value="MSGF" selected="True">MS-GF+</option> 451 <option value="MSGF" selected="True">MS-GF+</option>
404 <option value="OMSSA" selected="True">OMSSA</option> 452 <option value="OMSSA" selected="True">OMSSA</option>
405 <option value="Comet">Comet</option> 453 <option value="Comet">Comet</option>
406 <!-- Not working in tests 454 <!-- Not working in tests
455 -->
407 <option value="Tide">Tide</option> 456 <option value="Tide">Tide</option>
457 <!-- Not working in tests
408 --> 458 -->
459 <option value="MyriMatch">MyriMatch</option>
460 <option value="MS_Amanda">MS_Amanda</option>
409 <!-- Windows only 461 <!-- Windows only
410 <option value="Andromeda">Andromeda</option> 462 <option value="Andromeda">Andromeda</option>
411 --> 463 -->
464 <!-- New with version 3.0
465 -->
466 <!--working in tests
467 -->
468 <option value="DirecTag">DirecTag</option>
469 <option value="Novor">Novor (Select for non-commercial use only)</option>
412 <validator type="no_options" message="Please select at least one output file" /> 470 <validator type="no_options" message="Please select at least one output file" />
413 </param> 471 </param>
414 472
415 473
416 <!-- General Parameters --> 474 <!-- General Parameters -->
437 <param name="mgf_splitting" type="integer" value="1000" label="The maximum mgf file size in MB before splitting the mgf" 495 <param name="mgf_splitting" type="integer" value="1000" label="The maximum mgf file size in MB before splitting the mgf"
438 help="Choose a smaller value if you are running on a machine with limited memory"/> 496 help="Choose a smaller value if you are running on a machine with limited memory"/>
439 497
440 <param name="mgf_spectrum_count" type="integer" value="25000" label="The maximum number of spectra per mgf file when splitting" 498 <param name="mgf_spectrum_count" type="integer" value="25000" label="The maximum number of spectra per mgf file when splitting"
441 help="Choose a smaller value if you are running on a machine with limited memory"/> 499 help="Choose a smaller value if you are running on a machine with limited memory"/>
442 </when> 500 </when>
443 </conditional> 501 </conditional>
444 502
445 503
446 <!-- X!TANDEM ADVANCED PARAMETERS --> 504 <!-- X!TANDEM ADVANCED PARAMETERS -->
447 <conditional name="xtandem"> 505 <conditional name="xtandem">
468 <param name="xtandem_quick_pyro" help="Peptide N-terminus cyclization detection" 526 <param name="xtandem_quick_pyro" help="Peptide N-terminus cyclization detection"
469 label="X!Tandem: Quick Pyrolidone" type="boolean" truevalue="1" falsevalue="0" checked="true" /> 527 label="X!Tandem: Quick Pyrolidone" type="boolean" truevalue="1" falsevalue="0" checked="true" />
470 <param name="xtandem_stp_bias" help="Interpretation of peptide phosphorylation models" 528 <param name="xtandem_stp_bias" help="Interpretation of peptide phosphorylation models"
471 label="X!Tandem: Protein stP Bias" type="boolean" truevalue="1" falsevalue="0" checked="false" /> 529 label="X!Tandem: Protein stP Bias" type="boolean" truevalue="1" falsevalue="0" checked="false" />
472 <param name="xtandem_evalue" help="Highest value for recorded peptides" 530 <param name="xtandem_evalue" help="Highest value for recorded peptides"
473 label="X!Tandem: Maximum Valid Expectation Value" type="float" value="100" /> 531 label="X!Tandem: Maximum Valid Expectation Value" type="float" value="0.01" />
474 <param name="xtandem_output_proteins" help="Controls output of protein sequences" 532 <param name="xtandem_output_proteins" help="Controls output of protein sequences"
475 label="X!Tandem: Output Proteins" type="boolean" truevalue="1" falsevalue="0" checked="false" /> 533 label="X!Tandem: Output Proteins" type="boolean" truevalue="1" falsevalue="0" checked="false" />
476 <param name="xtandem_output_sequences" help="Controls output of sequence information" 534 <param name="xtandem_output_sequences" help="Controls output of sequence information"
477 label="X!Tandem: Output Sequences" type="boolean" truevalue="1" falsevalue="0" checked="false" /> 535 label="X!Tandem: Output Sequences" type="boolean" truevalue="1" falsevalue="0" checked="false" />
478 <param name="xtandem_output_spectra" help="Controls output of spectrum information" 536 <param name="xtandem_output_spectra" help="Controls output of spectrum information"
865 </param> 923 </param>
866 <param name="andromeda_max_mods" type="integer" value="5" label="Andromeda maximum number of modifications, default is: 5" /> 924 <param name="andromeda_max_mods" type="integer" value="5" label="Andromeda maximum number of modifications, default is: 5" />
867 <param name="andromeda_min_pep_length" type="integer" value="8" label="Andromeda minimum peptide length when using no enzyme, default is: 8" /> 925 <param name="andromeda_min_pep_length" type="integer" value="8" label="Andromeda minimum peptide length when using no enzyme, default is: 8" />
868 <param name="andromeda_max_pep_length" type="integer" value="25" label="Andromeda maximum peptide length when using no enzyme, default is: 25" /> 926 <param name="andromeda_max_pep_length" type="integer" value="25" label="Andromeda maximum peptide length when using no enzyme, default is: 25" />
869 <param name="andromeda_max_psms" type="integer" value="10" label="Andromeda maximum number of spectrum matches spectrum, default is: 10" /> 927 <param name="andromeda_max_psms" type="integer" value="10" label="Andromeda maximum number of spectrum matches spectrum, default is: 10" />
928 <param name="andromeda_decoy_mode" type="boolean" truevalue="decoy" falsevalue="none" checked="false" label="Andromeda decoy mode" />
870 </when> 929 </when>
871 </conditional> 930 </conditional>
872 --> 931 -->
873 932
874 <!-- Comet ADVANCED PARAMETERS --> 933 <!-- Comet ADVANCED PARAMETERS -->
889 <when value="yes"> 948 <when value="yes">
890 <param name="comet_min_peaks" type="integer" value="10" 949 <param name="comet_min_peaks" type="integer" value="10"
891 label="Comet: Minimum Number of Peaks per Spectrum" help="The minimum number of peaks per spectrum" /> 950 label="Comet: Minimum Number of Peaks per Spectrum" help="The minimum number of peaks per spectrum" />
892 <param name="comet_min_peak_int" type="float" value="0.0" 951 <param name="comet_min_peak_int" type="float" value="0.0"
893 label="Comet: Minimum Peaks Intensity" help="The minimum intensity for input peaks to be considered" /> 952 label="Comet: Minimum Peaks Intensity" help="The minimum intensity for input peaks to be considered" />
894 <param name="comet_remove_prec" label="Comet: Remove Precursor" type="select" help="Select for precursor m/z signal removal"> 953 <conditional name="comet_prec">
895 <option value="0" selected="True" >off</option> 954 <param name="comet_remove_prec" label="Comet: Remove Precursor" type="select" help="Select for precursor m/z signal removal">
896 <option value="1">on</option> 955 <option value="0" selected="True" >off</option>
897 <option value="2">as expected for ETD/ECD spectra</option> 956 <option value="1">on</option>
898 </param> 957 <option value="2">as expected for ETD/ECD spectra</option>
899 <when value="0" /> 958 </param>
900 <when value="1"> 959 <when value="0" />
901 <param name="comet_remove_prec_tol" type="float" value="1.5" 960 <when value="1">
902 label="Comet: Remove Precursor Tolerance" /> 961 <param name="comet_remove_prec_tol" type="float" value="1.5"
903 </when> 962 label="Comet: Remove Precursor Tolerance" />
904 <when value="2"> 963 </when>
905 <param name="comet_remove_prec_tol" type="float" value="1.5" 964 <when value="2">
906 label="Comet: Remove Precursor Tolerance" /> 965 <param name="comet_remove_prec_tol" type="float" value="1.5"
907 </when> 966 label="Comet: Remove Precursor Tolerance" />
967 </when>
968 </conditional>
908 <param name="comet_clear_mz_range_lower" type="float" value="0.0" 969 <param name="comet_clear_mz_range_lower" type="float" value="0.0"
909 label="Comet: Minimum Peaks Intensity" help="Intended for iTRAQ/TMT type data where one might want to remove the reporter ion signals, lower m/z range" /> 970 label="Comet: Minimum Peaks Intensity" help="Intended for iTRAQ/TMT type data where one might want to remove the reporter ion signals, lower m/z range" />
910 <param name="comet_clear_mz_range_upper" type="float" value="0.0" 971 <param name="comet_clear_mz_range_upper" type="float" value="0.0"
911 label="Comet: Maximum Peaks Intensity" help="Intended for iTRAQ/TMT type data where one might want to remove the reporter ion signals, upper m/z range" /> 972 label="Comet: Maximum Peaks Intensity" help="Intended for iTRAQ/TMT type data where one might want to remove the reporter ion signals, upper m/z range" />
912 </when> 973 </when>
962 label="Comet: Theoretical Fragment Ions" help="Specifies how theoretical fragment ion peaks are represented (0 or 1 values are allowed)" /> 1023 label="Comet: Theoretical Fragment Ions" help="Specifies how theoretical fragment ion peaks are represented (0 or 1 values are allowed)" />
963 </when> 1024 </when>
964 </conditional> 1025 </conditional>
965 </when> 1026 </when>
966 </conditional> 1027 </conditional>
1028 <conditional name="directtag">
1029 <param name="directtag_advanced" type="select" label="DirectTag Options">
1030 <option value="yes">Advanced</option>
1031 <option value="no" selected="True">Default</option>
1032 </param>
1033 <when value="no" />
1034 <when value="yes">
1035 <param name="directag_tic_cutoff" type="integer" value="85" label="DirecTag TIC cutoff in percent, default is '85'."/>
1036 <param name="directag_max_peak_count" type="integer" value="400" label="DirecTag max peak count, default is '400'."/>
1037 <param name="directag_intensity_classes" type="integer" value="3" label="DirecTag number of intensity classses, default is '3'."/>
1038 <param name="directag_adjust_precursor" type="boolean" truevalue="1" falsevalue="0" checked="false" label="DirecTag adjust precursor, default is false."/>
1039 <param name="directag_min_adjustment" type="float" value="-2.5" label="DirecTag minimum precursor adjustment, default is '-2.5'."/>
1040 <param name="directag_max_adjustment" type="float" value="2.5" label="DirecTag maximum precursor adjustment, default is '2.5'."/>
1041 <param name="directag_adjustment_step" type="float" value="0.1" label="DirecTag precursor adjustment step, default is '0.1'."/>
1042 <param name="directag_charge_states" type="integer" value="3" label="DirecTag number of charge states considered, default is '3'."/>
1043 <param name="directag_output_suffix" type="text" value="" label="DirecTag output suffix, default is no suffix."/>
1044 <param name="directag_ms_charge_state" type="boolean" truevalue="1" falsevalue="0" checked="false" label="DirecTag use charge state from M spectrum, default is false."/>
1045 <param name="directag_duplicate_spectra" type="boolean" truevalue="1" falsevalue="0" checked="true" label="DirecTag duplicate spectra per charge, default is true."/>
1046 <param name="directag_deisotoping" type="select" label="DirecTag deisotoping mode, default is no deisotoping">
1047 <option value="0" selected="true">no deisotoping</option>
1048 <option value="1">precursor only</option>
1049 <option value="2">precursor and candidate</option>
1050 </param>
1051 <param name="directag_isotope_tolerance" type="float" value="0.25" label="DirecTag isotope mz tolerance, default is '0.25'."/>
1052 <param name="directag_complement_tolerance" type="float" value="0.5" label="DirecTag complement mz tolerance, default is '0.5'."/>
1053 <param name="directag_tag_length" type="integer" value="3" label="DirecTag tag length, default is '3'."/>
1054 <param name="directag_max_var_mods" type="integer" value="2" label="DirecTag maximum variable modifications per sequence, default is '2'."/>
1055 <param name="directag_max_tag_count" type="integer" value="20" label="DirecTag maximum tag count, default is '20'."/>
1056 <param name="directag_intensity_weight" type="float" value="1.0" label="DirecTag intensity score weight, default is '1.0'."/>
1057 <param name="directag_fidelity_weight" type="float" value="1.0" label="DirecTag fidelity score weight, default is '1.0'."/>
1058 <param name="directag_complement_weight" type="float" value="1.0" label="DirecTag complement_score_weight, default is '1.0'."/>
1059 </when>
1060 </conditional>
1061
1062 <conditional name="novor">
1063 <param name="novor_advanced" type="select" label="Novor Options">
1064 <option value="yes">Advanced</option>
1065 <option value="no" selected="True">Default</option>
1066 </param>
1067 <when value="no" />
1068 <when value="yes">
1069 <param name="novor_fragmentation" type="select" label="Novor fragmentation method">
1070 <option value="HCD" selected="True">HCD</option>
1071 <option value="CID">CID</option>
1072 </param>
1073 <param name="novor_mass_analyzer" label="Novor: mass analyzer" type="select" help="Identifier of the instrument to generate MS/MS spectra">
1074 <option value="FT" selected="True">FT</option>
1075 <option value="Trap" >Trap</option>
1076 <option value="TOF" >TOF</option>
1077 </param>
1078 </when>
1079 </conditional>
1080
967 </inputs> 1081 </inputs>
968 <outputs> 1082 <outputs>
969 <data name="searchgui_results" format="searchgui_archive" from_work_dir="searchgui_out.zip" label="${tool.name} on ${on_string}" /> 1083 <data name="searchgui_results" format="searchgui_archive" from_work_dir="searchgui_out.zip" label="${tool.name} on ${on_string}" />
970 </outputs> 1084 </outputs>
971 <tests> 1085 <tests>