comparison searchgui.xml @ 33:bce45e9e6d70 draft

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit cb53f8e01ae0cc4dc7621f03ba209d040ef30312
author galaxyp
date Mon, 06 Feb 2017 21:53:07 -0500
parents ff592231f118
children 5a38c0d33704
comparison
equal deleted inserted replaced
32:ff592231f118 33:bce45e9e6d70
1 <tool id="search_gui" name="Search GUI" version="@SEARCHGUI_VERSION@.1"> 1 <tool id="search_gui" name="Search GUI" version="@SEARCHGUI_VERSION@.0">
2 <description> 2 <description>
3 Perform protein identification using various search engines and prepare results for input to Peptide Shaker 3 Perform protein identification using various search engines and prepare results for input to Peptide Shaker
4 </description> 4 </description>
5 <macros> 5 <macros>
6 <import>macros.xml</import> 6 <import>macros.xml</import>
21 mkdir output_reports; 21 mkdir output_reports;
22 cwd=`pwd`; 22 cwd=`pwd`;
23 export HOME=\$cwd; 23 export HOME=\$cwd;
24 24
25 ## echo the search engines to run 25 ## echo the search engines to run
26 echo "$engines"; 26 echo "$search_engines_options.engines";
27 echo "DB: ${input_database.display_name} sequences: ${input_database.metadata.sequences}"; 27 echo "DB: ${input_database.display_name} sequences: ${input_database.metadata.sequences}";
28 28
29 ##Create a searchgui.properties file for the version, which will be added to the searchgui_results if not already present 29 ##Create a searchgui.properties file for the version, which will be added to the searchgui_results if not already present
30 echo "searchgui.version=@SEARCHGUI_VERSION@" >> searchgui.properties; 30 echo "searchgui.version=@SEARCHGUI_VERSION@" >> searchgui.properties;
31 31
39 cp "${input_database}" input_database.fasta; 39 cp "${input_database}" input_database.fasta;
40 40
41 ########################################### 41 ###########################################
42 #### Creating decoy database #### 42 #### Creating decoy database ####
43 ########################################### 43 ###########################################
44 #if $create_decoy: 44 #if $protein_database_options.create_decoy:
45 echo "Creating decoy database."; 45 echo "Creating decoy database.";
46 searchgui eu.isas.searchgui.cmd.FastaCLI --exec_dir="\$cwd/${bin_dir}" -in input_database.fasta -decoy && 46 searchgui eu.isas.searchgui.cmd.FastaCLI --exec_dir="\$cwd/${bin_dir}" -in input_database.fasta -decoy &&
47 rm input_database.fasta && 47 rm input_database.fasta &&
48 cp input_database_concatenated_target_decoy.fasta input_database.fasta && 48 cp input_database_concatenated_target_decoy.fasta input_database.fasta &&
49 ## ln -sf input_database_concatenated_target_decoy.fasta input_database.fasta; 49 ## ln -sf input_database_concatenated_target_decoy.fasta input_database.fasta;
57 -out SEARCHGUI_IdentificationParameters.par 57 -out SEARCHGUI_IdentificationParameters.par
58 58
59 @GENERAL_PARAMETERS@ 59 @GENERAL_PARAMETERS@
60 60
61 -db input_database.fasta 61 -db input_database.fasta
62 #if $use_gene_mapping: 62 #if $protein_database_options.use_gene_mapping:
63 $use_gene_mapping 63 $protein_database_options.use_gene_mapping
64 $update_gene_mapping 64 $protein_database_options.update_gene_mapping
65 #end if 65 #end if
66 66
67 #if $xtandem.xtandem_advanced == "yes" 67 #if $advanced_options.xtandem.xtandem_advanced == "yes"
68 68
69 -xtandem_npeaks ${xtandem.xtandem_npeaks} 69 -xtandem_npeaks ${advanced_options.xtandem.xtandem_npeaks}
70 -xtandem_min_peaks ${xtandem.xtandem_min_peaks} 70 -xtandem_min_peaks ${advanced_options.xtandem.xtandem_min_peaks}
71 -xtandem_min_frag_mz ${xtandem.xtandem_min_frag_mz} 71 -xtandem_min_frag_mz ${advanced_options.xtandem.xtandem_min_frag_mz}
72 -xtandem_min_prec_mass ${xtandem.xtandem_min_prec_mass} 72 -xtandem_min_prec_mass ${advanced_options.xtandem.xtandem_min_prec_mass}
73 -xtandem_noise_suppr ${xtandem.xtandem_noise_suppr} 73 -xtandem_noise_suppr ${advanced_options.xtandem.xtandem_noise_suppr}
74 -xtandem_dynamic_range ${xtandem.xtandem_dynamic_range} 74 -xtandem_dynamic_range ${advanced_options.xtandem.xtandem_dynamic_range}
75 -xtandem_quick_acetyl ${xtandem.xtandem_quick_acetyl} 75 -xtandem_quick_acetyl ${advanced_options.xtandem.xtandem_quick_acetyl}
76 -xtandem_quick_pyro ${xtandem.xtandem_quick_pyro} 76 -xtandem_quick_pyro ${advanced_options.xtandem.xtandem_quick_pyro}
77 -xtandem_stp_bias ${xtandem.xtandem_stp_bias} 77 -xtandem_stp_bias ${advanced_options.xtandem.xtandem_stp_bias}
78 -xtandem_evalue ${xtandem.xtandem_evalue} 78 -xtandem_evalue ${advanced_options.xtandem.xtandem_evalue}
79 -xtandem_output_proteins ${xtandem.xtandem_output_proteins} 79 -xtandem_output_proteins ${advanced_options.xtandem.xtandem_output_proteins}
80 -xtandem_output_sequences ${xtandem.xtandem_output_sequences} 80 -xtandem_output_sequences ${advanced_options.xtandem.xtandem_output_sequences}
81 -xtandem_output_spectra ${xtandem.xtandem_output_spectra} 81 -xtandem_output_spectra ${advanced_options.xtandem.xtandem_output_spectra}
82 ## -xtandem_skyline_path ${xtandem.xtandem_skyline_path} 82 ## -xtandem_skyline_path ${advanced_options.xtandem.xtandem_skyline_path}
83 83
84 #if $xtandem.xtandem_refine.xtandem_refine_selector == "yes" 84 #if $advanced_options.xtandem.xtandem_refine.xtandem_refine_selector == "yes"
85 -xtandem_refine 1 85 -xtandem_refine 1
86 -xtandem_refine_unc ${xtandem.xtandem_refine.xtandem_refine_unc} 86 -xtandem_refine_unc ${advanced_options.xtandem.xtandem_refine.xtandem_refine_unc}
87 -xtandem_refine_semi ${xtandem.xtandem_refine.xtandem_refine_semi} 87 -xtandem_refine_semi ${advanced_options.xtandem.xtandem_refine.xtandem_refine_semi}
88 -xtandem_refine_p_mut ${xtandem.xtandem_refine.xtandem_refine_p_mut} 88 -xtandem_refine_p_mut ${advanced_options.xtandem.xtandem_refine.xtandem_refine_p_mut}
89 -xtandem_refine_snaps ${xtandem.xtandem_refine.xtandem_refine_snaps} 89 -xtandem_refine_snaps ${advanced_options.xtandem.xtandem_refine.xtandem_refine_snaps}
90 -xtandem_refine_spec_synt ${xtandem.xtandem_refine.xtandem_refine_spec_synt} 90 -xtandem_refine_spec_synt ${advanced_options.xtandem.xtandem_refine.xtandem_refine_spec_synt}
91 -xtandem_refine_pot ${xtandem.xtandem_refine.xtandem_refine_pot} 91 -xtandem_refine_pot ${advanced_options.xtandem.xtandem_refine.xtandem_refine_pot}
92 -xtandem_refine_pot ${xtandem.xtandem_refine.xtandem_refine_evalue} 92 -xtandem_refine_pot ${advanced_options.xtandem.xtandem_refine.xtandem_refine_evalue}
93 93
94 #end if 94 #end if
95 #else 95 #else
96 -xtandem_output_spectra 1 96 -xtandem_output_spectra 1
97 #end if 97 #end if
98 98
99 #if $omssa.omssa_advanced == "yes" 99 #if $advanced_options.omssa.omssa_advanced == "yes"
100 -omssa_hitlist_length ${omssa.hitlist_length} 100 -omssa_hitlist_length ${advanced_options.omssa.hitlist_length}
101 -omssa_remove_prec ${omssa.remove_precursor} 101 -omssa_remove_prec ${advanced_options.omssa.remove_precursor}
102 -omssa_scale_prec ${omssa.scale_precursor} 102 -omssa_scale_prec ${advanced_options.omssa.scale_precursor}
103 -omssa_estimate_charge ${omssa.estimate_charge} 103 -omssa_estimate_charge ${advanced_options.omssa.estimate_charge}
104 -omssa_memory ${omssa.omssa_memory} 104 -omssa_memory ${advanced_options.omssa.omssa_memory}
105 -omssa_neutron ${omssa.omssa_neutron} 105 -omssa_neutron ${advanced_options.omssa.omssa_neutron}
106 -omssa_low_intensity "${omssa.omssa_low_intensity}" 106 -omssa_low_intensity "${advanced_options.omssa.omssa_low_intensity}"
107 -omssa_high_intensity ${omssa.omssa_high_intensity} 107 -omssa_high_intensity ${advanced_options.omssa.omssa_high_intensity}
108 -omssa_intensity_incr ${omssa.omssa_intensity_incr} 108 -omssa_intensity_incr ${advanced_options.omssa.omssa_intensity_incr}
109 -omssa_single_window_wd ${omssa.omssa_single_window_wd} 109 -omssa_single_window_wd ${advanced_options.omssa.omssa_single_window_wd}
110 -omssa_double_window_wd ${omssa.omssa_double_window_wd} 110 -omssa_double_window_wd ${advanced_options.omssa.omssa_double_window_wd}
111 -omssa_single_window_pk ${omssa.omssa_single_window_pk} 111 -omssa_single_window_pk ${advanced_options.omssa.omssa_single_window_pk}
112 -omssa_double_window_pk ${omssa.omssa_double_window_pk} 112 -omssa_double_window_pk ${advanced_options.omssa.omssa_double_window_pk}
113 -omssa_min_ann_int_pks ${omssa.omssa_min_ann_int_pks} 113 -omssa_min_ann_int_pks ${advanced_options.omssa.omssa_min_ann_int_pks}
114 -omssa_min_annotated_peaks ${omssa.omssa_min_annotated_peaks} 114 -omssa_min_annotated_peaks ${advanced_options.omssa.omssa_min_annotated_peaks}
115 -omssa_min_peaks ${omssa.omssa_min_peaks} 115 -omssa_min_peaks ${advanced_options.omssa.omssa_min_peaks}
116 -omssa_methionine ${omssa.omssa_methionine} 116 -omssa_methionine ${advanced_options.omssa.omssa_methionine}
117 -omssa_max_ladders ${omssa.omssa_max_ladders} 117 -omssa_max_ladders ${advanced_options.omssa.omssa_max_ladders}
118 -omssa_max_frag_charge ${omssa.omssa_max_frag_charge} 118 -omssa_max_frag_charge ${advanced_options.omssa.omssa_max_frag_charge}
119 -omssa_fraction ${omssa.omssa_fraction} 119 -omssa_fraction ${advanced_options.omssa.omssa_fraction}
120 -omssa_plus_one ${omssa.omssa_plus_one} 120 -omssa_plus_one ${advanced_options.omssa.omssa_plus_one}
121 -omssa_charge ${omssa.omssa_charge} 121 -omssa_charge ${advanced_options.omssa.omssa_charge}
122 -omssa_prec_per_spectrum ${omssa.omssa_prec_per_spectrum} 122 -omssa_prec_per_spectrum ${advanced_options.omssa.omssa_prec_per_spectrum}
123 -omssa_forward ${omssa.omssa_forward} 123 -omssa_forward ${advanced_options.omssa.omssa_forward}
124 -omssa_rewind ${omssa.omssa_rewind} 124 -omssa_rewind ${advanced_options.omssa.omssa_rewind}
125 -omssa_max_frag_series ${omssa.omssa_max_frag_series} 125 -omssa_max_frag_series ${advanced_options.omssa.omssa_max_frag_series}
126 -omssa_corr ${omssa.omssa_corr} 126 -omssa_corr ${advanced_options.omssa.omssa_corr}
127 -omssa_consecutive_p ${omssa.omssa_consecutive_p} 127 -omssa_consecutive_p ${advanced_options.omssa.omssa_consecutive_p}
128 -omssa_it_sequence_evalue ${omssa.omssa_it_sequence_evalue} 128 -omssa_it_sequence_evalue ${advanced_options.omssa.omssa_it_sequence_evalue}
129 -omssa_it_spectrum_evalue ${omssa.omssa_it_spectrum_evalue} 129 -omssa_it_spectrum_evalue ${advanced_options.omssa.omssa_it_spectrum_evalue}
130 -omssa_it_replace_evalue ${omssa.omssa_it_replace_evalue} 130 -omssa_it_replace_evalue ${advanced_options.omssa.omssa_it_replace_evalue}
131 -omssa_max_evalue ${omssa.omssa_max_evalue} 131 -omssa_max_evalue ${advanced_options.omssa.omssa_max_evalue}
132 -omssa_hitlist_charge ${omssa.omssa_hitlist_charge} 132 -omssa_hitlist_charge ${advanced_options.omssa.omssa_hitlist_charge}
133 -omssa_min_pep_length ${omssa.omssa_min_pep_length} 133 -omssa_min_pep_length ${advanced_options.omssa.omssa_min_pep_length}
134 -omssa_max_pep_length ${omssa.omssa_max_pep_length} 134 -omssa_max_pep_length ${advanced_options.omssa.omssa_max_pep_length}
135 -omssa_format ${omssa.omssa_format} 135 -omssa_format ${advanced_options.omssa.omssa_format}
136 #end if 136 #end if
137 137
138 #if $msgf.msgf_advanced == "yes" 138 #if $advanced_options.msgf.msgf_advanced == "yes"
139 -msgf_decoy ${msgf.msgf_decoy} 139 -msgf_decoy ${advanced_options.msgf.msgf_decoy}
140 -msgf_min_pep_length ${msgf.msgf_min_pep_length} 140 -msgf_min_pep_length ${advanced_options.msgf.msgf_min_pep_length}
141 -msgf_max_pep_length ${msgf.msgf_max_pep_length} 141 -msgf_max_pep_length ${advanced_options.msgf.msgf_max_pep_length}
142 -msgf_termini ${msgf.msgf_termini} 142 -msgf_termini ${advanced_options.msgf.msgf_termini}
143 -msgf_num_ptms ${msgf.msgf_num_ptms} 143 -msgf_num_ptms ${advanced_options.msgf.msgf_num_ptms}
144 -msgf_instrument ${msgf.msgf_instrument} 144 -msgf_instrument ${advanced_options.msgf.msgf_instrument}
145 -msgf_fragmentation ${msgf.msgf_fragmentation} 145 -msgf_fragmentation ${advanced_options.msgf.msgf_fragmentation}
146 -msgf_protocol ${msgf.msgf_protocol} 146 -msgf_protocol ${advanced_options.msgf.msgf_protocol}
147 -msgf_num_matches ${msgf.msgf_num_matches} 147 -msgf_num_matches ${advanced_options.msgf.msgf_num_matches}
148 -msgf_additional ${msgf.msgf_additional} 148 -msgf_additional ${advanced_options.msgf.msgf_additional}
149 #end if 149 #end if
150 150
151 #* Not working in tests 151 #* Not working in tests
152 #if $ms_amanda.ms_amanda_advanced == "yes" 152 #if $advanced_options.ms_amanda.ms_amanda_advanced == "yes"
153 -ms_amanda_decoy ${ms_amanda.ms_amanda_decoy} 153 -ms_amanda_decoy ${advanced_options.ms_amanda.ms_amanda_decoy}
154 -ms_amanda_max_evalue ${ms_amanda.ms_amanda_max_evalue} 154 -ms_amanda_max_evalue ${advanced_options.ms_amanda.ms_amanda_max_evalue}
155 -ms_amanda_instrument ${ms_amanda.ms_amanda_instrument} 155 -ms_amanda_instrument ${advanced_options.ms_amanda.ms_amanda_instrument}
156 -ms_amanda_max_rank ${ms_amanda.ms_amanda_max_rank} 156 -ms_amanda_max_rank ${advanced_options.ms_amanda.ms_amanda_max_rank}
157 -ms_amanda_mono ${ms_amanda.ms_amanda_mono} 157 -ms_amanda_mono ${advanced_options.ms_amanda.ms_amanda_mono}
158 #end if 158 #end if
159 *# 159 *#
160 160
161 #* Not working in tests 161 #* Not working in tests
162 #if $myrimatch.myrimatch_advanced == "yes" 162 #if $advanced_options.myrimatch.myrimatch_advanced == "yes"
163 -myrimatch_min_pep_length ${myrimatch.myrimatch_min_pep_length} 163 -myrimatch_min_pep_length ${advanced_options.myrimatch.myrimatch_min_pep_length}
164 -myrimatch_max_pep_length ${myrimatch.myrimatch_max_pep_length} 164 -myrimatch_max_pep_length ${advanced_options.myrimatch.myrimatch_max_pep_length}
165 -myrimatch_min_prec_mass ${myrimatch.myrimatch_min_prec_mass} 165 -myrimatch_min_prec_mass ${advanced_options.myrimatch.myrimatch_min_prec_mass}
166 -myrimatch_max_prec_mass ${myrimatch.myrimatch_max_prec_mass} 166 -myrimatch_max_prec_mass ${advanced_options.myrimatch.myrimatch_max_prec_mass}
167 -myrimatch_num_matches ${myrimatch.myrimatch_num_matches} 167 -myrimatch_num_matches ${advanced_options.myrimatch.myrimatch_num_matches}
168 -myrimatch_num_ptms ${myrimatch.myrimatch_num_ptms} 168 -myrimatch_num_ptms ${advanced_options.myrimatch.myrimatch_num_ptms}
169 -myrimatch_fragmentation ${myrimatch.myrimatch_fragmentation} 169 -myrimatch_fragmentation ${advanced_options.myrimatch.myrimatch_fragmentation}
170 -myrimatch_termini ${myrimatch.myrimatch_termini} 170 -myrimatch_termini ${advanced_options.myrimatch.myrimatch_termini}
171 -myrimatch_plus_three ${myrimatch.myrimatch_plus_three} 171 -myrimatch_plus_three ${advanced_options.myrimatch.myrimatch_plus_three}
172 -myrimatch_xcorr ${myrimatch.myrimatch_xcorr} 172 -myrimatch_xcorr ${advanced_options.myrimatch.myrimatch_xcorr}
173 -myrimatch_tic_cutoff ${myrimatch.myrimatch_tic_cutoff} 173 -myrimatch_tic_cutoff ${advanced_options.myrimatch.myrimatch_tic_cutoff}
174 -myrimatch_intensity_classes ${myrimatch.myrimatch_intensity_classes} 174 -myrimatch_intensity_classes ${advanced_options.myrimatch.myrimatch_intensity_classes}
175 -myrimatch_class_multiplier ${myrimatch.myrimatch_class_multiplier} 175 -myrimatch_class_multiplier ${advanced_options.myrimatch.myrimatch_class_multiplier}
176 -myrimatch_num_batches ${myrimatch.myrimatch_num_batches} 176 -myrimatch_num_batches ${advanced_options.myrimatch.myrimatch_num_batches}
177 -myrimatch_max_peak ${myrimatch.myrimatch_max_peak} 177 -myrimatch_max_peak ${advanced_options.myrimatch.myrimatch_max_peak}
178 #end if 178 #end if
179 *# 179 *#
180 180
181 #* Not working in tests 181 #* Not working in tests
182 #if $andromeda.andromeda_advanced == "yes" 182 #if $advanced_options.andromeda.andromeda_advanced == "yes"
183 -andromeda_max_pep_mass ${andromeda.andromeda_max_pep_mass} 183 -andromeda_max_pep_mass ${advanced_options.andromeda.andromeda_max_pep_mass}
184 -andromeda_max_comb ${andromeda.andromeda_max_comb} 184 -andromeda_max_comb ${advanced_options.andromeda.andromeda_max_comb}
185 -andromeda_top_peaks ${andromeda.andromeda_top_peaks} 185 -andromeda_top_peaks ${advanced_options.andromeda.andromeda_top_peaks}
186 -andromeda_top_peaks_window ${andromeda.andromeda_top_peaks_window} 186 -andromeda_top_peaks_window ${advanced_options.andromeda.andromeda_top_peaks_window}
187 -andromeda_incl_water ${andromeda.andromeda_incl_water} 187 -andromeda_incl_water ${advanced_options.andromeda.andromeda_incl_water}
188 -andromeda_incl_ammonia ${andromeda.andromeda_incl_ammonia} 188 -andromeda_incl_ammonia ${advanced_options.andromeda.andromeda_incl_ammonia}
189 -andromeda_neutral_losses ${andromeda.andromeda_neutral_losses} 189 -andromeda_neutral_losses ${advanced_options.andromeda.andromeda_neutral_losses}
190 -andromeda_fragment_all ${andromeda.andromeda_fragment_all} 190 -andromeda_fragment_all ${advanced_options.andromeda.andromeda_fragment_all}
191 -andromeda_emp_correction ${andromeda.andromeda_emp_correction} 191 -andromeda_emp_correction ${advanced_options.andromeda.andromeda_emp_correction}
192 -andromeda_higher_charge ${andromeda.andromeda_higher_charge} 192 -andromeda_higher_charge ${advanced_options.andromeda.andromeda_higher_charge}
193 -andromeda_equal_il ${andromeda.andromeda_equal_il} 193 -andromeda_equal_il ${advanced_options.andromeda.andromeda_equal_il}
194 -andromeda_frag_method ${andromeda.andromeda_frag_method} 194 -andromeda_frag_method ${advanced_options.andromeda.andromeda_frag_method}
195 -andromeda_max_mods ${andromeda.andromeda_max_mods} 195 -andromeda_max_mods ${advanced_options.andromeda.andromeda_max_mods}
196 -andromeda_min_pep_length ${andromeda.andromeda_min_pep_length} 196 -andromeda_min_pep_length ${advanced_options.andromeda.andromeda_min_pep_length}
197 -andromeda_max_pep_length ${andromeda.andromeda_max_pep_length} 197 -andromeda_max_pep_length ${advanced_options.andromeda.andromeda_max_pep_length}
198 -andromeda_max_psms ${andromeda.andromeda_max_psms} 198 -andromeda_max_psms ${advanced_options.andromeda.andromeda_max_psms}
199 -andromeda_decoy_mode ${andromeda.andromeda_decoy_mode} 199 -andromeda_decoy_mode ${advanced_options.andromeda.andromeda_decoy_mode}
200 #end if 200 #end if
201 *# 201 *#
202 202
203 #* Not working in tests 203 #* Not working in tests
204 #if $tide.tide_advanced == "yes" 204 #if $advanced_options.tide.tide_advanced == "yes"
205 -tide_num_ptms ${tide.tide_num_ptms} 205 -tide_num_ptms ${advanced_options.tide.tide_num_ptms}
206 -tide_num_ptms_per_type ${tide.tide_num_ptms_per_type} 206 -tide_num_ptms_per_type ${advanced_options.tide.tide_num_ptms_per_type}
207 -tide_min_pep_length ${tide.tide_min_pep_length} 207 -tide_min_pep_length ${advanced_options.tide.tide_min_pep_length}
208 -tide_max_pep_length ${tide.tide_max_pep_length} 208 -tide_max_pep_length ${advanced_options.tide.tide_max_pep_length}
209 -tide_min_prec_mass ${tide.tide_min_prec_mass} 209 -tide_min_prec_mass ${advanced_options.tide.tide_min_prec_mass}
210 -tide_max_prec_mass ${tide.tide_max_prec_mass} 210 -tide_max_prec_mass ${advanced_options.tide.tide_max_prec_mass}
211 -tide_decoy_format ${tide.tide_decoy_format} 211 -tide_decoy_format ${advanced_options.tide.tide_decoy_format}
212 -tide_keep_terminals ${tide.tide_keep_terminals} 212 -tide_keep_terminals ${advanced_options.tide.tide_keep_terminals}
213 213
214 -tide_output_folder ${tide.tide_output_folder} 214 -tide_output_folder ${advanced_options.tide.tide_output_folder}
215 -tide_print_peptides ${tide.tide_print_peptides} 215 -tide_print_peptides ${advanced_options.tide.tide_print_peptides}
216 -tide_verbosity ${tide.tide_verbosity} 216 -tide_verbosity ${advanced_options.tide.tide_verbosity}
217 -tide_monoisotopic ${tide.tide_monoisotopic} 217 -tide_monoisotopic ${advanced_options.tide.tide_monoisotopic}
218 -tide_clip_n_term ${tide.tide_clip_n_term} 218 -tide_clip_n_term ${advanced_options.tide.tide_clip_n_term}
219 -tide_digestion_type ${tide.tide_digestion_type} 219 -tide_digestion_type ${advanced_options.tide.tide_digestion_type}
220 -tide_compute_sp ${tide.tide_compute_sp} 220 -tide_compute_sp ${advanced_options.tide.tide_compute_sp}
221 -tide_max_psms ${tide.tide_max_psms} 221 -tide_max_psms ${advanced_options.tide.tide_max_psms}
222 -tide_compute_p ${tide.tide_compute_p} 222 -tide_compute_p ${advanced_options.tide.tide_compute_p}
223 -tide_min_spectrum_mz ${tide.tide_min_spectrum_mz} 223 -tide_min_spectrum_mz ${advanced_options.tide.tide_min_spectrum_mz}
224 -tide_max_spectrum_mz ${tide.tide_max_spectrum_mz} 224 -tide_max_spectrum_mz ${advanced_options.tide.tide_max_spectrum_mz}
225 -tide_min_spectrum_peaks ${tide.tide_min_spectrum_peaks} 225 -tide_min_spectrum_peaks ${advanced_options.tide.tide_min_spectrum_peaks}
226 -tide_spectrum_charges ${tide.tide_spectrum_charges} 226 -tide_spectrum_charges ${advanced_options.tide.tide_spectrum_charges}
227 -tide_remove_prec ${tide.tide_remove_prec} 227 -tide_remove_prec ${advanced_options.tide.tide_remove_prec}
228 -tide_remove_prec_tol ${tide.tide_remove_prec_tol} 228 -tide_remove_prec_tol ${advanced_options.tide.tide_remove_prec_tol}
229 -tide_progress_indicator ${tide.tide_progress_indicator} 229 -tide_progress_indicator ${advanced_options.tide.tide_progress_indicator}
230 -tide_use_flanking ${tide.tide_use_flanking} 230 -tide_use_flanking ${advanced_options.tide.tide_use_flanking}
231 -tide_use_neutral_losses ${tide.tide_use_neutral_losses} 231 -tide_use_neutral_losses ${advanced_options.tide.tide_use_neutral_losses}
232 -tide_mz_bin_width ${tide.tide_mz_bin_width} 232 -tide_mz_bin_width ${advanced_options.tide.tide_mz_bin_width}
233 -tide_mz_bin_offset ${tide.tide_mz_bin_offset} 233 -tide_mz_bin_offset ${advanced_options.tide.tide_mz_bin_offset}
234 -tide_concat ${tide.tide_concat} 234 -tide_concat ${advanced_options.tide.tide_concat}
235 -tide_export_text ${tide.tide_export_text} 235 -tide_export_text ${advanced_options.tide.tide_export_text}
236 -tide_export_sqt ${tide.tide_export_sqt} 236 -tide_export_sqt ${advanced_options.tide.tide_export_sqt}
237 -tide_export_pepxml ${tide.tide_export_pepxml} 237 -tide_export_pepxml ${advanced_options.tide.tide_export_pepxml}
238 -tide_export_mzid ${tide.tide_export_mzid} 238 -tide_export_mzid ${advanced_options.tide.tide_export_mzid}
239 -tide_export_pin ${tide.tide_export_pin} 239 -tide_export_pin ${advanced_options.tide.tide_export_pin}
240 -tide_remove_temp ${tide.tide_remove_temp} 240 -tide_remove_temp ${advanced_options.tide.tide_remove_temp}
241 #end if 241 #end if
242 *# 242 *#
243 243
244 #if $comet.comet_advanced == "yes" 244 #if $advanced_options.comet.comet_advanced == "yes"
245 245
246 #if $comet.comet_spectrum.comet_spectrum_selector == "yes" 246 #if $advanced_options.comet.comet_spectrum.comet_spectrum_selector == "yes"
247 -comet_min_peaks ${comet.comet_spectrum.comet_min_peaks} 247 -comet_min_peaks ${advanced_options.comet.comet_spectrum.comet_min_peaks}
248 -comet_min_peak_int ${comet.comet_spectrum.comet_min_peak_int} 248 -comet_min_peak_int ${advanced_options.comet.comet_spectrum.comet_min_peak_int}
249 249
250 -comet_remove_prec ${comet.comet_spectrum.comet_prec.comet_remove_prec} 250 -comet_remove_prec ${advanced_options.comet.comet_spectrum.comet_prec.comet_remove_prec}
251 251
252 252
253 #if $comet.comet_spectrum.comet_prec.comet_remove_prec == "1" 253 #if $advanced_options.comet.comet_spectrum.comet_prec.comet_remove_prec == "1"
254 -comet_remove_prec_tol ${comet.comet_spectrum.comet_prec.comet_remove_prec_tol} 254 -comet_remove_prec_tol ${advanced_options.comet.comet_spectrum.comet_prec.comet_remove_prec_tol}
255 #end if 255 #end if
256 256
257 #if $comet.comet_spectrum.comet_prec.comet_remove_prec == "2" 257 #if $advanced_options.comet.comet_spectrum.comet_prec.comet_remove_prec == "2"
258 -comet_remove_prec_tol ${comet.comet_spectrum.comet_prec.comet_remove_prec_tol} 258 -comet_remove_prec_tol ${advanced_options.comet.comet_spectrum.comet_prec.comet_remove_prec_tol}
259 #end if 259 #end if
260 260
261 -comet_clear_mz_range_lower ${comet.comet_spectrum.comet_clear_mz_range_lower} 261 -comet_clear_mz_range_lower ${advanced_options.comet.comet_spectrum.comet_clear_mz_range_lower}
262 -comet_clear_mz_range_upper ${comet.comet_spectrum.comet_clear_mz_range_upper} 262 -comet_clear_mz_range_upper ${advanced_options.comet.comet_spectrum.comet_clear_mz_range_upper}
263 #end if 263 #end if
264 264
265 #if $comet.comet_search.comet_search_selector == "yes" 265 #if $advanced_options.comet.comet_search.comet_search_selector == "yes"
266 -comet_enzyme_type ${comet.comet_search.comet_enzyme_type} 266 -comet_enzyme_type ${advanced_options.comet.comet_search.comet_enzyme_type}
267 -comet_isotope_correction ${comet.comet_search.comet_isotope_correction} 267 -comet_isotope_correction ${advanced_options.comet.comet_search.comet_isotope_correction}
268 -comet_min_prec_mass ${comet.comet_search.comet_min_prec_mass} 268 -comet_min_prec_mass ${advanced_options.comet.comet_search.comet_min_prec_mass}
269 -comet_max_prec_mass ${comet.comet_search.comet_max_prec_mass} 269 -comet_max_prec_mass ${advanced_options.comet.comet_search.comet_max_prec_mass}
270 -comet_num_matches ${comet.comet_search.comet_num_matches} 270 -comet_num_matches ${advanced_options.comet.comet_search.comet_num_matches}
271 -comet_max_frag_charge ${comet.comet_search.comet_max_frag_charge} 271 -comet_max_frag_charge ${advanced_options.comet.comet_search.comet_max_frag_charge}
272 -comet_remove_meth ${comet.comet_search.comet_remove_meth} 272 -comet_remove_meth ${advanced_options.comet.comet_search.comet_remove_meth}
273 -comet_batch_size ${comet.comet_search.comet_batch_size} 273 -comet_batch_size ${advanced_options.comet.comet_search.comet_batch_size}
274 -comet_num_ptms ${comet.comet_search.comet_num_ptms} 274 -comet_num_ptms ${advanced_options.comet.comet_search.comet_num_ptms}
275 #end if 275 #end if
276 276
277 #if $comet.comet_fragment_ions.comet_fragment_ions_selector == "yes" 277 #if $advanced_options.comet.comet_fragment_ions.comet_fragment_ions_selector == "yes"
278 -comet_frag_bin_offset ${comet.comet_fragment_ions.comet_frag_bin_offset} 278 -comet_frag_bin_offset ${advanced_options.comet.comet_fragment_ions.comet_frag_bin_offset}
279 -comet_sparse_matrix ${comet.comet_fragment_ions.comet_sparse_matrix} 279 -comet_sparse_matrix ${advanced_options.comet.comet_fragment_ions.comet_sparse_matrix}
280 -comet_theoretical_fragment_ions ${comet.comet_fragment_ions.comet_theoretical_fragment_ions} 280 -comet_theoretical_fragment_ions ${advanced_options.comet.comet_fragment_ions.comet_theoretical_fragment_ions}
281 #end if 281 #end if
282 #end if 282 #end if
283 283
284 #if $directtag.directtag_advanced == "yes" 284 #if $advanced_options.directtag.directtag_advanced == "yes"
285 -directag_tic_cutoff ${directtag.directag_tic_cutoff} 285 -directag_tic_cutoff ${advanced_options.directtag.directag_tic_cutoff}
286 -directag_max_peak_count ${directtag.directag_max_peak_count} 286 -directag_max_peak_count ${advanced_options.directtag.directag_max_peak_count}
287 -directag_intensity_classes ${directtag.directag_intensity_classes} 287 -directag_intensity_classes ${advanced_options.directtag.directag_intensity_classes}
288 -directag_adjust_precursor ${directtag.directag_adjust_precursor} 288 -directag_adjust_precursor ${advanced_options.directtag.directag_adjust_precursor}
289 -directag_min_adjustment ${directtag.directag_min_adjustment} 289 -directag_min_adjustment ${advanced_options.directtag.directag_min_adjustment}
290 -directag_max_adjustment ${directtag.directag_max_adjustment} 290 -directag_max_adjustment ${advanced_options.directtag.directag_max_adjustment}
291 -directag_adjustment_step ${directtag.directag_adjustment_step} 291 -directag_adjustment_step ${advanced_options.directtag.directag_adjustment_step}
292 -directag_charge_states ${directtag.directag_charge_states} 292 -directag_charge_states ${advanced_options.directtag.directag_charge_states}
293 #if str($directtag.directag_output_suffix).strip() != '': 293 #if str($advanced_options.directtag.directag_output_suffix).strip() != '':
294 -directag_output_suffix ${directtag.directag_output_suffix} 294 -directag_output_suffix ${advanced_options.directtag.directag_output_suffix}
295 #end if 295 #end if
296 -directag_ms_charge_state ${directtag.directag_ms_charge_state} 296 -directag_ms_charge_state ${advanced_options.directtag.directag_ms_charge_state}
297 -directag_duplicate_spectra ${directtag.directag_duplicate_spectra} 297 -directag_duplicate_spectra ${advanced_options.directtag.directag_duplicate_spectra}
298 -directag_deisotoping ${directtag.directag_deisotoping} 298 -directag_deisotoping ${advanced_options.directtag.directag_deisotoping}
299 -directag_isotope_tolerance ${directtag.directag_isotope_tolerance} 299 -directag_isotope_tolerance ${advanced_options.directtag.directag_isotope_tolerance}
300 -directag_complement_tolerance ${directtag.directag_complement_tolerance} 300 -directag_complement_tolerance ${advanced_options.directtag.directag_complement_tolerance}
301 -directag_tag_length ${directtag.directag_tag_length} 301 -directag_tag_length ${advanced_options.directtag.directag_tag_length}
302 -directag_max_var_mods ${directtag.directag_max_var_mods} 302 -directag_max_var_mods ${advanced_options.directtag.directag_max_var_mods}
303 -directag_max_tag_count ${directtag.directag_max_tag_count} 303 -directag_max_tag_count ${advanced_options.directtag.directag_max_tag_count}
304 -directag_intensity_weight ${directtag.directag_intensity_weight} 304 -directag_intensity_weight ${advanced_options.directtag.directag_intensity_weight}
305 -directag_fidelity_weight ${directtag.directag_fidelity_weight} 305 -directag_fidelity_weight ${advanced_options.directtag.directag_fidelity_weight}
306 -directag_complement_weight ${directtag.directag_complement_weight} 306 -directag_complement_weight ${advanced_options.directtag.directag_complement_weight}
307 #end if 307 #end if
308 308
309 #if $novor.novor_advanced == "yes" 309 #if $advanced_options.novor.novor_advanced == "yes"
310 -novor_fragmentation ${novor.novor_fragmentation} 310 -novor_fragmentation ${advanced_options.novor.novor_fragmentation}
311 -novor_mass_analyzer ${novor.novor_mass_analyzer} 311 -novor_mass_analyzer ${advanced_options.novor.novor_mass_analyzer}
312 #end if 312 #end if
313 313
314 2> $temp_stderr) 314 2> $temp_stderr)
315 && 315 &&
316 316
324 -output_folder \$cwd/output 324 -output_folder \$cwd/output
325 -id_params SEARCHGUI_IdentificationParameters.par 325 -id_params SEARCHGUI_IdentificationParameters.par
326 326
327 -threads "\${GALAXY_SLOTS:-12}" 327 -threads "\${GALAXY_SLOTS:-12}"
328 328
329 #if $searchgui_advanced.searchgui_advanced_selector == 'advanced' 329 #if $advanced_options.searchgui_advanced.searchgui_advanced_selector == 'advanced'
330 -correct_titles "${searchgui_advanced.correct_titles}" 330 -correct_titles "${advanced_options.searchgui_advanced.correct_titles}"
331 $searchgui_advanced.missing_titles 331 $advanced_options.searchgui_advanced.missing_titles
332 -mgf_splitting "${searchgui_advanced.mgf_splitting}" 332 -mgf_splitting "${advanced_options.searchgui_advanced.mgf_splitting}"
333 -mgf_spectrum_count "${searchgui_advanced.mgf_spectrum_count}" 333 -mgf_spectrum_count "${advanced_options.searchgui_advanced.mgf_spectrum_count}"
334 #end if 334 #end if
335 335
336 ## Turn of the protein tree generation as it can produce errors if the search is finished before the tree is created 336 ## Turn of the protein tree generation as it can produce errors if the search is finished before the tree is created
337 ## the tree is generated afterwards in PeptideShaker 337 ## the tree is generated afterwards in PeptideShaker
338 ## -protein_index 0 338 ## -protein_index 0
339 339
340 ##-makeblastdb_folder \$BLAST_ROOT_DIR 340 ##-makeblastdb_folder \$BLAST_ROOT_DIR
341 341
342 #set $engines_list = str($engines).split(',') 342 #set $engines_list = str($search_engines_options.engines).split(',')
343 #if 'X!Tandem' in $engines_list: 343 #if 'X!Tandem' in $engines_list:
344 -xtandem 1 344 -xtandem 1
345 #else 345 #else
346 -xtandem 0 346 -xtandem 0
347 #end if 347 #end if
423 </command> 423 </command>
424 <inputs> 424 <inputs>
425 425
426 <param format="fasta" name="input_database" type="data" label="Protein Database" 426 <param format="fasta" name="input_database" type="data" label="Protein Database"
427 help="Select FASTA database from history"/> 427 help="Select FASTA database from history"/>
428 428 <section name="protein_database_options" expanded="false" title="Protein Database Options">
429 <param name="create_decoy" type="boolean" truevalue="True" falsevalue="False" checked="true" 429 <param name="create_decoy" type="boolean" truevalue="True" falsevalue="False" checked="true"
430 label="Create a concatenated target/decoy database before running PeptideShaker" 430 label="Create a concatenated target/decoy database before running PeptideShaker"
431 help="Selecting this option will help PeptideShaker calculate FDR values" /> 431 help="Selecting this option will help PeptideShaker calculate FDR values" />
432 432 <param name="use_gene_mapping" type="boolean" truevalue="-useGeneMapping 1" falsevalue="-useGeneMapping 0" checked="false"
433 <param name="use_gene_mapping" type="boolean" truevalue="-useGeneMapping 1" falsevalue="-useGeneMapping 0" checked="false" 433 label="gene mappings will be used and saved along with the project (UniProt databases only)"
434 label="gene mappings will be used and saved along with the project (UniProt databases only)" 434 help="This should only be enabled for UniProt databaases" />
435 <param name="update_gene_mapping" type="boolean" truevalue="-updateGeneMapping 1" falsevalue="-updateGeneMapping 0" checked="false"
436 label="Update gene mappings automatically from Ensembl (UniProt databases only)"
435 help="This should only be enabled for UniProt databaases" /> 437 help="This should only be enabled for UniProt databaases" />
436 <param name="update_gene_mapping" type="boolean" truevalue="-updateGeneMapping 1" falsevalue="-updateGeneMapping 0" checked="false" 438 </section>
437 label="Update gene mappings automatically from Ensembl (UniProt databases only)"
438 help="This should only be enabled for UniProt databaases" />
439
440 <param name="peak_lists" format="mgf" type="data" multiple="true" label="Input Peak Lists (mgf)" 439 <param name="peak_lists" format="mgf" type="data" multiple="true" label="Input Peak Lists (mgf)"
441 help="Select appropriate MGF dataset(s) from history" /> 440 help="Select appropriate MGF dataset(s) from history" />
442 441
443 <!-- Search Engine Selection --> 442 <!-- Search Engine Selection -->
444 <param name="engines" type="select" display="checkboxes" multiple="True" label="DB-Search Engines"> 443 <section name="search_engines_options" expanded="false" title="Search Engine Options">
445 <help>Comet and Tide shouldn't both be selected since they use a similar algoritm.</help> 444 <param name="engines" type="select" display="checkboxes" multiple="True" label="DB-Search Engines">
446 <option value="X!Tandem" selected="True">X!Tandem</option> 445 <help>Comet and Tide shouldn't both be selected since they use a similar algoritm.</help>
447 446 <option value="X!Tandem" selected="True">X!Tandem</option>
448 <option value="MSGF" selected="True">MS-GF+</option> 447
449 <option value="OMSSA" selected="True">OMSSA</option> 448 <option value="MSGF" selected="True">MS-GF+</option>
450 <option value="Comet">Comet</option> 449 <option value="OMSSA" selected="True">OMSSA</option>
451 <!-- Not working in tests 450 <option value="Comet">Comet</option>
452 --> 451 <!-- Not working in tests
453 <option value="Tide">Tide</option> 452 -->
454 <!-- Not working in tests 453 <option value="Tide">Tide</option>
455 --> 454 <!-- Not working in tests
456 <option value="MyriMatch">MyriMatch</option> 455 -->
457 <option value="MS_Amanda">MS_Amanda</option> 456 <option value="MyriMatch">MyriMatch</option>
458 <!-- Windows only 457 <option value="MS_Amanda">MS_Amanda</option>
459 <option value="Andromeda">Andromeda</option> 458 <!-- Windows only
460 --> 459 <option value="Andromeda">Andromeda</option>
461 <!-- New with version 3.0 460 -->
462 --> 461 <!-- New with version 3.0
463 <!--working in tests 462 -->
464 --> 463 <!--working in tests
465 <option value="DirecTag">DirecTag</option> 464 -->
466 <option value="Novor">Novor (Select for non-commercial use only)</option> 465 <option value="DirecTag">DirecTag</option>
467 <validator type="no_options" message="Please select at least one output file" /> 466 <option value="Novor">Novor (Select for non-commercial use only)</option>
468 </param> 467 <validator type="no_options" message="Please select at least one output file" />
468 </param>
469 </section>
469 470
470 471
471 <!-- General Parameters --> 472 <!-- General Parameters -->
472 <expand macro="general_options"/> 473 <expand macro="general_options"/>
473 474
474 <!-- Optional Advanced SearchGUI Parameters --> 475
475 <conditional name="searchgui_advanced"> 476 <section name="advanced_options" expanded="false" title="Andvanced Options">
476 <param name="searchgui_advanced_selector" type="select" label="SearchGUI Options"> 477 <!-- Optional Advanced SearchGUI Parameters -->
477 <option value="basic" selected="True">Default</option> 478 <conditional name="searchgui_advanced">
478 <option value="advanced">Advanced</option> 479 <param name="searchgui_advanced_selector" type="select" label="SearchGUI Options">
479 </param> 480 <option value="basic" selected="True">Default</option>
480 <when value="basic" /> 481 <option value="advanced">Advanced</option>
481 <when value="advanced"> 482 </param>
482 <param name="correct_titles" type="select" label="How should PeptideShaker deal with duplicate spectra?" 483 <when value="basic" />
483 help="Unless you suspect some input files to be genuine duplicates then rename spectra is the safest option"> 484 <when value="advanced">
484 <option value="0">no correction</option> 485 <param name="correct_titles" type="select" label="How should PeptideShaker deal with duplicate spectra?"
485 <option value="1" selected="True">rename spectra</option> 486 help="Unless you suspect some input files to be genuine duplicates then rename spectra is the safest option">
486 <option value="2">delete spectra</option> 487 <option value="0">no correction</option>
487 </param> 488 <option value="1" selected="True">rename spectra</option>
488 489 <option value="2">delete spectra</option>
489 <param name="missing_titles" type="boolean" checked="false" truevalue="-missing_titles 1" falsevalue="-missing_titles 0" 490 </param>
490 label="Add missing spectrum titles" help="(-missing_titles)"/> 491
491 492 <param name="missing_titles" type="boolean" checked="false" truevalue="-missing_titles 1" falsevalue="-missing_titles 0"
492 <param name="mgf_splitting" type="integer" value="1000" label="The maximum mgf file size in MB before splitting the mgf" 493 label="Add missing spectrum titles" help="(-missing_titles)"/>
493 help="Choose a smaller value if you are running on a machine with limited memory"/> 494
494 495 <param name="mgf_splitting" type="integer" value="1000" label="The maximum mgf file size in MB before splitting the mgf"
495 <param name="mgf_spectrum_count" type="integer" value="25000" label="The maximum number of spectra per mgf file when splitting" 496 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"/> 497
497 </when> 498 <param name="mgf_spectrum_count" type="integer" value="25000" label="The maximum number of spectra per mgf file when splitting"
498 </conditional> 499 help="Choose a smaller value if you are running on a machine with limited memory"/>
499 500 </when>
500 501 </conditional>
501 <!-- X!TANDEM ADVANCED PARAMETERS --> 502
502 <conditional name="xtandem"> 503 <!-- X!TANDEM ADVANCED PARAMETERS -->
503 <param name="xtandem_advanced" type="select" label="X!Tandem Options"> 504 <conditional name="xtandem">
504 <option value="yes">Advanced</option> 505 <param name="xtandem_advanced" type="select" label="X!Tandem Options">
505 <option value="no" selected="True">Default</option> 506 <option value="yes">Advanced</option>
506 </param> 507 <option value="no" selected="True">Default</option>
507 <when value="no" /> 508 </param>
508 <when value="yes"> 509 <when value="no" />
509 <param name="xtandem_npeaks" type="integer" value="50" 510 <when value="yes">
510 label="X!Tandem: Total Peaks" help="Maximum number of peaks to be used from a spectrum"/> 511 <param name="xtandem_npeaks" type="integer" value="50"
511 <param name="xtandem_min_peaks" type="integer" value="15" 512 label="X!Tandem: Total Peaks" help="Maximum number of peaks to be used from a spectrum"/>
512 label="X!Tandem: Min Peaks" help="Minimum number of peaks required for a spectrum to be considered"/> 513 <param name="xtandem_min_peaks" type="integer" value="15"
513 <param name="xtandem_min_frag_mz" type="integer" value="200" 514 label="X!Tandem: Min Peaks" help="Minimum number of peaks required for a spectrum to be considered"/>
514 label="X!Tandem: Min Frag m/z" help="Fragment mass peaks with m/z less than this value will be discarded"/> 515 <param name="xtandem_min_frag_mz" type="integer" value="200"
515 <param name="xtandem_min_prec_mass" type="integer" value="200" 516 label="X!Tandem: Min Frag m/z" help="Fragment mass peaks with m/z less than this value will be discarded"/>
516 label="X!Tandem: Min Precursor Mass" help="Minimum mass of 1+ mass of parent ion to be considered"/> 517 <param name="xtandem_min_prec_mass" type="integer" value="200"
517 <param name="xtandem_noise_suppr" type="boolean" checked="true" truevalue="1" falsevalue="0" 518 label="X!Tandem: Min Precursor Mass" help="Minimum mass of 1+ mass of parent ion to be considered"/>
518 label="X!Tandem: Noise Suppression" help="Use noise suppression"/> 519 <param name="xtandem_noise_suppr" type="boolean" checked="true" truevalue="1" falsevalue="0"
519 <param name="xtandem_dynamic_range" help="Sets the dynamic range for scoring spectra" 520 label="X!Tandem: Noise Suppression" help="Use noise suppression"/>
520 label="X!Tandem: Dynamic Range" value="100" type="integer" /> 521 <param name="xtandem_dynamic_range" help="Sets the dynamic range for scoring spectra"
521 <param name="xtandem_quick_acetyl" help="Protein N-terminal modification detection" 522 label="X!Tandem: Dynamic Range" value="100" type="integer" />
522 label="X!Tandem: Quick Acetyl" type="boolean" truevalue="1" falsevalue="0" checked="true" /> 523 <param name="xtandem_quick_acetyl" help="Protein N-terminal modification detection"
523 <param name="xtandem_quick_pyro" help="Peptide N-terminus cyclization detection" 524 label="X!Tandem: Quick Acetyl" type="boolean" truevalue="1" falsevalue="0" checked="true" />
524 label="X!Tandem: Quick Pyrolidone" type="boolean" truevalue="1" falsevalue="0" checked="true" /> 525 <param name="xtandem_quick_pyro" help="Peptide N-terminus cyclization detection"
525 <param name="xtandem_stp_bias" help="Interpretation of peptide phosphorylation models" 526 label="X!Tandem: Quick Pyrolidone" type="boolean" truevalue="1" falsevalue="0" checked="true" />
526 label="X!Tandem: Protein stP Bias" type="boolean" truevalue="1" falsevalue="0" checked="false" /> 527 <param name="xtandem_stp_bias" help="Interpretation of peptide phosphorylation models"
527 <param name="xtandem_evalue" help="Highest value for recorded peptides" 528 label="X!Tandem: Protein stP Bias" type="boolean" truevalue="1" falsevalue="0" checked="false" />
528 label="X!Tandem: Maximum Valid Expectation Value" type="float" value="0.01" /> 529 <param name="xtandem_evalue" help="Highest value for recorded peptides"
529 <param name="xtandem_output_proteins" help="Controls output of protein sequences" 530 label="X!Tandem: Maximum Valid Expectation Value" type="float" value="0.01" />
530 label="X!Tandem: Output Proteins" type="boolean" truevalue="1" falsevalue="0" checked="false" /> 531 <param name="xtandem_output_proteins" help="Controls output of protein sequences"
531 <param name="xtandem_output_sequences" help="Controls output of sequence information" 532 label="X!Tandem: Output Proteins" type="boolean" truevalue="1" falsevalue="0" checked="false" />
532 label="X!Tandem: Output Sequences" type="boolean" truevalue="1" falsevalue="0" checked="false" /> 533 <param name="xtandem_output_sequences" help="Controls output of sequence information"
533 <param name="xtandem_output_spectra" help="Controls output of spectrum information" 534 label="X!Tandem: Output Sequences" type="boolean" truevalue="1" falsevalue="0" checked="false" />
534 label="X!Tandem: Output Spectra" type="boolean" truevalue="1" falsevalue="0" checked="true" /> 535 <param name="xtandem_output_spectra" help="Controls output of spectrum information"
535 <!-- <param name="xtandem_skyline_path" label="X!Tandem 'spectrum, skyline path'" type="text" help="Path to a spectrum data file for use by skyline." --> 536 label="X!Tandem: Output Spectra" type="boolean" truevalue="1" falsevalue="0" checked="true" />
537 <!-- <param name="xtandem_skyline_path" label="X!Tandem 'spectrum, skyline path'" type="text" help="Path to a spectrum data file for use by skyline." -->
538
539 <conditional name="xtandem_refine"><!-- -xtandem_refine -->
540 <param name="xtandem_refine_selector" type="select" label="X!Tandem peptide model refinement">
541 <option value="no" selected="True">Don't refine</option>
542 <option value="yes" >Use refinement</option>
543 </param>
544 <when value="no"/>
545 <when value="yes">
546 <param name="xtandem_refine_unc" type="boolean" truevalue="1" falsevalue="0" checked="true"
547 label="X!Tandem: Unanticipated cleavage, refinement" help="Allow for unanticipated cleavage during refinement"/>
548 <param name="xtandem_refine_semi" type="boolean" truevalue="1" falsevalue="0" checked="false"
549 label="X!Tandem: Cleavage semi, refinement" help="Search for semi-tryptic peptides during refinement"/>
550 <param name="xtandem_refine_p_mut" type="boolean" truevalue="1" falsevalue="0" checked="false"
551 label="X!Tandem: Point mutations, refinement" help="Allow for point mutations during refinement"/>
552 <param name="xtandem_refine_snaps" type="boolean" truevalue="1" falsevalue="0" checked="true"
553 label="X!Tandem: snAPs, refinement" help="Search for known single amino acid polymorphisms during refinement"/>
554 <param name="xtandem_refine_spec_synt" type="boolean" truevalue="1" falsevalue="0" checked="true"
555 label="X!Tandem: Spectrum synthesis, refinement" help="Use spectrum synthesis scoring"/>
556 <param name="xtandem_refine_pot" type="boolean" truevalue="1" falsevalue="0" checked="false"
557 label="X!Tandem: Use potential modifications, refinement" help="Controls the use of refinement modifications in all refinement modules."/>
558 <param name="xtandem_refine_evalue" help="Highest value for recorded peptides during refinement"
559 label="X!Tandem: Maximum Valid Expectation Value, refinement" type="float" value="0.01" />
560 </when>
561 </conditional>
562 </when>
563 </conditional>
564
565 <!-- OMSSA ADVANCED PARAMETERS -->
566 <conditional name="omssa">
567 <param name="omssa_advanced" type="select" label="OMSSA Options">
568 <option value="yes">Advanced</option>
569 <option value="no" selected="True">Default</option>
570 </param>
571 <when value="no" />
572 <when value="yes">
573 <param name="hitlist_length" label="OMSSA: Hit List Length" type="integer" value="25" />
574 <param name="remove_precursor" label="OMSSA: Remove Precurosr" type="boolean" truevalue="1" falsevalue="0" checked="true"/>
575 <param name="scale_precursor" label="OMSSA: Scale Precursor Mass" type="boolean" truevalue="1" falsevalue="0" checked="false"/>
576 <param name="estimate_charge" label="OMSSA: Estimate Charge" type="boolean" truevalue="1" falsevalue="0" checked="true" />
536 577
537 <conditional name="xtandem_refine"><!-- -xtandem_refine --> 578 <param name="omssa_memory" type="boolean" truevalue="1" falsevalue="0" checked="true"
538 <param name="xtandem_refine_selector" type="select" label="X!Tandem peptide model refinement"> 579 label="OMSSA: Map Sequences in Memory" help="Use memory mapped sequence libraries" />
539 <option value="no" selected="True">Don't refine</option> 580 <param name="omssa_neutron" type="float" value="1446.94"
540 <option value="yes" >Use refinement</option> 581 label="OMSSA: Neutron Mass" help="Mass after which OMSSA should consider neutron exact mass" />
541 </param> 582 <param name="omssa_low_intensity" type="float" value="0.0"
542 <when value="no"/> 583 label="OMSSA: Low Intensity Cutoff" help="Low intensity cutoff as a fraction of max peak" />
543 <when value="yes"> 584 <param name="omssa_high_intensity" type="float" value="0.2"
544 <param name="xtandem_refine_unc" type="boolean" truevalue="1" falsevalue="0" checked="true" 585 label="OMSSA: High Intensity Cutoff" help="High intensity cutoff as a fraction of max peak" />
545 label="X!Tandem: Unanticipated cleavage, refinement" help="Allow for unanticipated cleavage during refinement"/> 586 <param name="omssa_intensity_incr" type="float" value="0.0005"
546 <param name="xtandem_refine_semi" type="boolean" truevalue="1" falsevalue="0" checked="false" 587 label="OMSSA: Intensity Increment" help="Intensity increment" />
547 label="X!Tandem: Cleavage semi, refinement" help="Search for semi-tryptic peptides during refinement"/> 588 <param name="omssa_single_window_wd" type="integer" value="27"
548 <param name="xtandem_refine_p_mut" type="boolean" truevalue="1" falsevalue="0" checked="false" 589 label="OMSSA: Single Charge Window Width" help="Single charge window width in Da (integer)" />
549 label="X!Tandem: Point mutations, refinement" help="Allow for point mutations during refinement"/> 590 <param name="omssa_double_window_wd" type="integer" value="14"
550 <param name="xtandem_refine_snaps" type="boolean" truevalue="1" falsevalue="0" checked="true" 591 label="OMSSA: Double Charge Window Width" help="OMSSA double charge window width in Da (integer)" />
551 label="X!Tandem: snAPs, refinement" help="Search for known single amino acid polymorphisms during refinement"/> 592 <param name="omssa_single_window_pk" type="integer" value="2"
552 <param name="xtandem_refine_spec_synt" type="boolean" truevalue="1" falsevalue="0" checked="true" 593 label="OMSSA: Single Charge Window Peaks" help="Minimum number of peaks in single charge window (integer)" />
553 label="X!Tandem: Spectrum synthesis, refinement" help="Use spectrum synthesis scoring"/> 594 <param name="omssa_double_window_pk" type="integer" value="2"
554 <param name="xtandem_refine_pot" type="boolean" truevalue="1" falsevalue="0" checked="false" 595 label="OMSSA: Double Charge Window Peaks" help="Minimum number of peaks in double charge window (integer)" />
555 label="X!Tandem: Use potential modifications, refinement" help="Controls the use of refinement modifications in all refinement modules."/> 596 <param name="omssa_min_ann_int_pks" type="integer" value="6"
556 <param name="xtandem_refine_evalue" help="Highest value for recorded peptides during refinement" 597 label="OMSSA: Minimum Number of Annotated Peaks of Intense Ones" help="Minimum number of annotated peaks among the most intense ones" />
557 label="X!Tandem: Maximum Valid Expectation Value, refinement" type="float" value="0.01" /> 598 <param name="omssa_min_annotated_peaks" type="integer" value="2"
558 </when> 599 label="OMSSA: Minimum number of Annotated Peaks" help="Minimum number of annotated peaks" />
559 </conditional> 600 <param name="omssa_min_peaks" type="integer" value="4"
560 </when> 601 label="OMSSA: Minimum Peak Count" help="The minimum number of m/z values a spectrum must have to be searched" />
561 </conditional> 602 <param name="omssa_methionine" type="boolean" truevalue="1" falsevalue="0" checked="true"
562 603 label="OMSSA: Cleave n-term Methionine" help="Allow for N-terminal methionine cleavage" />
563 <!-- OMSSA ADVANCED PARAMETERS --> 604 <param name="omssa_max_ladders" type="integer" value="128"
564 <conditional name="omssa"> 605 label="OMSSA: Maximum Number of m/z Ladders" help="The maximum number of mass ladders to generate per database peptide" />
565 <param name="omssa_advanced" type="select" label="OMSSA Options"> 606 <param name="omssa_max_frag_charge" type="integer" value="2"
566 <option value="yes">Advanced</option> 607 label="OMSSA: Maximum Fragment Charge" help="Maximum fragment charge" />
567 <option value="no" selected="True">Default</option> 608 <param name="omssa_fraction" type="float" value="0.95"
568 </param> 609 label="OMSSA: Fraction of Peaks to estimate Charge 1" help="fraction of peaks to estimate charge 1" />
569 <when value="no" /> 610 <param name="omssa_plus_one" type="boolean" truevalue="1" falsevalue="0" checked="true"
570 <when value="yes"> 611 label="OMSSA: Estimate Plus One Charge" help="Allow OMSSA to estimate plus one charge algorithmically"/>
571 <param name="hitlist_length" label="OMSSA: Hit List Length" type="integer" value="25" /> 612 <param name="omssa_charge" type="select"
572 <param name="remove_precursor" label="OMSSA: Remove Precurosr" type="boolean" truevalue="1" falsevalue="0" checked="true"/> 613 label="OMSSA: Fragment Charge" help="OMSSA fragment charge option" >
573 <param name="scale_precursor" label="OMSSA: Scale Precursor Mass" type="boolean" truevalue="1" falsevalue="0" checked="false"/> 614 <option value="0" >Minus</option>
574 <param name="estimate_charge" label="OMSSA: Estimate Charge" type="boolean" truevalue="1" falsevalue="0" checked="true" /> 615 <option value="1" selected="True">Plus</option>
575 616 </param>
576 <param name="omssa_memory" type="boolean" truevalue="1" falsevalue="0" checked="true" 617 <param name="omssa_prec_per_spectrum" type="integer" value="1"
577 label="OMSSA: Map Sequences in Memory" help="Use memory mapped sequence libraries" /> 618 label="OMSSA: Minimum Number of Precursors per Spectrum" help="Minimum number of precursors per spectrum" />
578 <param name="omssa_neutron" type="float" value="1446.94" 619 <param name="omssa_forward" type="boolean" truevalue="1" falsevalue="0" checked="true"
579 label="OMSSA: Neutron Mass" help="Mass after which OMSSA should consider neutron exact mass" /> 620 label="OMSSA: Include First Forward Ion (b1) in Search" help="Allow OMSSA to include first forward ion (b1) in search" />
580 <param name="omssa_low_intensity" type="float" value="0.0" 621 <param name="omssa_rewind" type="boolean" truevalue="1" falsevalue="0" checked="true"
581 label="OMSSA: Low Intensity Cutoff" help="Low intensity cutoff as a fraction of max peak" /> 622 label="OMSSA: Search Rewind" help="Allow search rewind (C-terminal) ions" />
582 <param name="omssa_high_intensity" type="float" value="0.2" 623 <param name="omssa_max_frag_series" type="integer" value="100"
583 label="OMSSA: High Intensity Cutoff" help="High intensity cutoff as a fraction of max peak" /> 624 label="OMSSA: Maximum Fragment per Series" help="Max number of fragments ions ions in each series being searched" />
584 <param name="omssa_intensity_incr" type="float" value="0.0005" 625 <param name="omssa_corr" type="boolean" truevalue="1" falsevalue="0" checked="true"
585 label="OMSSA: Intensity Increment" help="Intensity increment" /> 626 label="OMSSA: Use Correlation Correction" help="Allow the use correlation correction score" />
586 <param name="omssa_single_window_wd" type="integer" value="27" 627 <param name="omssa_consecutive_p" type="float" value="0.5"
587 label="OMSSA: Single Charge Window Width" help="Single charge window width in Da (integer)" /> 628 label="OMSSA: Consecutive Ion Probability" help="Probability of consecutive ion (used in correlation correction)" />
588 <param name="omssa_double_window_wd" type="integer" value="14" 629 <param name="omssa_it_sequence_evalue" type="float" value="0.0"
589 label="OMSSA: Double Charge Window Width" help="OMSSA double charge window width in Da (integer)" /> 630 label="OMSSA: Sequence e-value Cutoff" help="The maximum e-value allowed to consider a sequence in the iterative search(0.0 means all)" />
590 <param name="omssa_single_window_pk" type="integer" value="2" 631 <param name="omssa_it_spectrum_evalue" type="float" value="0.01"
591 label="OMSSA: Single Charge Window Peaks" help="Minimum number of peaks in single charge window (integer)" /> 632 label="OMSSA: Spectrum e-value Cutoff" help="The maximum e-value allowed to consider a spectrum in the iterative search(0.0 means all)" />
592 <param name="omssa_double_window_pk" type="integer" value="2" 633 <param name="omssa_it_replace_evalue" type="float" value="0.01"
593 label="OMSSA: Double Charge Window Peaks" help="Minimum number of peaks in double charge window (integer)" /> 634 label="OMSSA: Replace e-value cutoff" help="The maximum e-value allowed to replace a hit in the iterative search(0.0 means all)" />
594 <param name="omssa_min_ann_int_pks" type="integer" value="6" 635 <param name="omssa_remove_prec" type="boolean" truevalue="1" falsevalue="0" checked="true"
595 label="OMSSA: Minimum Number of Annotated Peaks of Intense Ones" help="Minimum number of annotated peaks among the most intense ones" /> 636 label="OMSSA: Remove Precursor" help="Remove precursors" />
596 <param name="omssa_min_annotated_peaks" type="integer" value="2" 637 <param name="omssa_scale_prec" type="boolean" truevalue="1" falsevalue="0" checked="false"
597 label="OMSSA: Minimum number of Annotated Peaks" help="Minimum number of annotated peaks" /> 638 label="OMSSA: Scale Precursor Mass" help="scale precursor mass" />
598 <param name="omssa_min_peaks" type="integer" value="4" 639 <param name="omssa_estimate_charge" type="boolean" truevalue="1" falsevalue="0" checked="true"
599 label="OMSSA: Minimum Peak Count" help="The minimum number of m/z values a spectrum must have to be searched" /> 640 label="OMSSA: Remove Precursor" help="Remove precursors" />
600 <param name="omssa_methionine" type="boolean" truevalue="1" falsevalue="0" checked="true" 641 <param name="omssa_max_evalue" type="float" value="100"
601 label="OMSSA: Cleave n-term Methionine" help="Allow for N-terminal methionine cleavage" /> 642 label="OMSSA: Maximal evalue Considered" help="The maximum e-value considered" />
602 <param name="omssa_max_ladders" type="integer" value="128" 643 <param name="omssa_remove_prec" type="boolean" truevalue="1" falsevalue="0" checked="true"
603 label="OMSSA: Maximum Number of m/z Ladders" help="The maximum number of mass ladders to generate per database peptide" /> 644 label="OMSSA: Estimate Precursor Charge" help="Allow estimation of precursor charge" />
604 <param name="omssa_max_frag_charge" type="integer" value="2" 645 <param name="omssa_it_replace_evalue" type="float" value="100"
605 label="OMSSA: Maximum Fragment Charge" help="Maximum fragment charge" /> 646 label="OMSSA: Maximal evalue" help="The maximum OMSSA e-value considered" />
606 <param name="omssa_fraction" type="float" value="0.95" 647 <param name="omssa_hitlist_length" type="integer" value="0"
607 label="OMSSA: Fraction of Peaks to estimate Charge 1" help="fraction of peaks to estimate charge 1" /> 648 label="OMSSA: Hitlist Length" help="OMSSA hitlist length, 0 means all" />
608 <param name="omssa_plus_one" type="boolean" truevalue="1" falsevalue="0" checked="true" 649 <param name="omssa_hitlist_charge" type="integer" value="30"
609 label="OMSSA: Estimate Plus One Charge" help="Allow OMSSA to estimate plus one charge algorithmically"/> 650 label="OMSSA: Number of Hits per Spectrum per Charge" help="number of hits per spectrum per charge" />
610 <param name="omssa_charge" type="select" 651 <param name="omssa_min_pep_length" type="integer" value="4"
611 label="OMSSA: Fragment Charge" help="OMSSA fragment charge option" > 652 label="OMSSA: Minumum Peptide Length" help="Minimum length of peptides for no-enzyme and semi-tryptic searches" />
612 <option value="0" >Minus</option> 653 <param name="omssa_max_pep_length" type="integer" value="40"
613 <option value="1" selected="True">Plus</option> 654 label="OMSSA: Maximum Peptide Length" help="Maximum length of peptides for no-enzyme and semi-tryptic searches (0: none)" />
655 <param name="omssa_format" label="OMSSA output format" type="select" >
656 <option value="0" selected="True">OMX</option>
657 <option value="1" >CSV</option>
658 </param>
659 </when>
660 </conditional>
661
662 <!-- MS-GF+ ADVANCED PARAMETERS -->
663 <conditional name="msgf">
664 <param name="msgf_advanced" type="select" label="MSGF Options">
665 <option value="yes">Advanced</option>
666 <option value="no" selected="True">Default</option>
614 </param> 667 </param>
615 <param name="omssa_prec_per_spectrum" type="integer" value="1" 668 <when value="no" />
616 label="OMSSA: Minimum Number of Precursors per Spectrum" help="Minimum number of precursors per spectrum" /> 669 <when value="yes">
617 <param name="omssa_forward" type="boolean" truevalue="1" falsevalue="0" checked="true" 670 <param name="msgf_decoy" type="boolean" truevalue="1" falsevalue="0" checked="false"
618 label="OMSSA: Include First Forward Ion (b1) in Search" help="Allow OMSSA to include first forward ion (b1) in search" /> 671 label="MSGF: Search Decoys" help="If yes then a decoy database will be generated and searched. Assumed input database contains no decoys"/>
619 <param name="omssa_rewind" type="boolean" truevalue="1" falsevalue="0" checked="true" 672 <param name="msgf_min_pep_length" type="integer" value="6"
620 label="OMSSA: Search Rewind" help="Allow search rewind (C-terminal) ions" /> 673 label="MSGF: Minimum Peptide Length" help="Minimum length for a peptide to be considered"/>
621 <param name="omssa_max_frag_series" type="integer" value="100" 674 <param name="msgf_max_pep_length" type="integer" value="30"
622 label="OMSSA: Maximum Fragment per Series" help="Max number of fragments ions ions in each series being searched" /> 675 label="MSGF: Maximum Peptide Length" help="Maximum length for a peptide to be considered"/>
623 <param name="omssa_corr" type="boolean" truevalue="1" falsevalue="0" checked="true" 676 <param name="msgf_termini" type="select" format="text"
624 label="OMSSA: Use Correlation Correction" help="Allow the use correlation correction score" /> 677 label="MSGF: Number of tolerable termini" help="Searches will take much longer if selecting a value other than 2">
625 <param name="omssa_consecutive_p" type="float" value="0.5" 678 <option value="0">0 (ie non-specific cleavage)</option>
626 label="OMSSA: Consecutive Ion Probability" help="Probability of consecutive ion (used in correlation correction)" /> 679 <option value="1">1 (ie semi-tryptic cleavage)</option>
627 <param name="omssa_it_sequence_evalue" type="float" value="0.0" 680 <option value="2" selected="true">2 (ie fully-tryptic cleavage)</option>
628 label="OMSSA: Sequence e-value Cutoff" help="The maximum e-value allowed to consider a sequence in the iterative search(0.0 means all)" /> 681 </param>
629 <param name="omssa_it_spectrum_evalue" type="float" value="0.01" 682 <param name="msgf_num_ptms" label="MSGF: Max PTMs per peptide" type="integer" value="2"/>
630 label="OMSSA: Spectrum e-value Cutoff" help="The maximum e-value allowed to consider a spectrum in the iterative search(0.0 means all)" /> 683
631 <param name="omssa_it_replace_evalue" type="float" value="0.01" 684 <param name="msgf_instrument" label="MSGF: Instrument type" type="select" help="Identifier of the instrument to generate MS/MS spectra (used to determine the scoring model)">
632 label="OMSSA: Replace e-value cutoff" help="The maximum e-value allowed to replace a hit in the iterative search(0.0 means all)" /> 685 <option value="0" selected="True">Low-res LCQ/LTQ</option>
633 <param name="omssa_remove_prec" type="boolean" truevalue="1" falsevalue="0" checked="true" 686 <option value="1" >High-res LTQ</option>
634 label="OMSSA: Remove Precursor" help="Remove precursors" /> 687 <option value="2" >TOF</option>
635 <param name="omssa_scale_prec" type="boolean" truevalue="1" falsevalue="0" checked="false" 688 <option value="3" >Q-Exactive</option>
636 label="OMSSA: Scale Precursor Mass" help="scale precursor mass" /> 689 </param>
637 <param name="omssa_estimate_charge" type="boolean" truevalue="1" falsevalue="0" checked="true" 690 <param name="msgf_fragmentation" label="MSGF: Fragmentation type" type="select" help="Fragmentation method identifier (used to determine the scoring model)">
638 label="OMSSA: Remove Precursor" help="Remove precursors" /> 691 <option value="0" selected="True">As written in the spectrum or CID if no info</option>
639 <param name="omssa_max_evalue" type="float" value="100" 692 <option value="1" >CID</option>
640 label="OMSSA: Maximal evalue Considered" help="The maximum e-value considered" /> 693 <option value="2" >ETD</option>
641 <param name="omssa_remove_prec" type="boolean" truevalue="1" falsevalue="0" checked="true" 694 <option value="3" >HCD</option>
642 label="OMSSA: Estimate Precursor Charge" help="Allow estimation of precursor charge" /> 695 </param>
643 <param name="omssa_it_replace_evalue" type="float" value="100" 696 <param name="msgf_protocol" label="MSGF: Protocol type" type="select" help="Protocol identifier. Protocols are used to enable scoring parameters for enriched and/or labeled samples">
644 label="OMSSA: Maximal evalue" help="The maximum OMSSA e-value considered" /> 697 <option value="0" selected="True">Automatic</option>
645 <param name="omssa_hitlist_length" type="integer" value="0" 698 <option value="1" >Phosphorylation</option>
646 label="OMSSA: Hitlist Length" help="OMSSA hitlist length, 0 means all" /> 699 <option value="2" >iTRAQ</option>
647 <param name="omssa_hitlist_charge" type="integer" value="30" 700 <option value="3" >iTRAQPhospho</option>
648 label="OMSSA: Number of Hits per Spectrum per Charge" help="number of hits per spectrum per charge" /> 701 <option value="4" >TMT</option>
649 <param name="omssa_min_pep_length" type="integer" value="4" 702 <option value="5" >Standard</option>
650 label="OMSSA: Minumum Peptide Length" help="Minimum length of peptides for no-enzyme and semi-tryptic searches" /> 703 </param>
651 <param name="omssa_max_pep_length" type="integer" value="40" 704 <param name="msgf_num_matches" label="MSGF: Maximum Number of Spectrum Matches" type="integer" value="1" help="Number of peptide matches per spectrum to report" />
652 label="OMSSA: Maximum Peptide Length" help="Maximum length of peptides for no-enzyme and semi-tryptic searches (0: none)" /> 705 <param name="msgf_additional" label="MS-GF+ additional features" type="select" help="Additional features to export">
653 <param name="omssa_format" label="OMSSA output format" type="select" > 706 <option value="0" selected="True">output basic scores only</option>
654 <option value="0" selected="True">OMX</option> 707 <option value="1" >output additional features</option>
655 <option value="1" >CSV</option> 708 </param>
709 </when>
710 </conditional>
711
712 <!-- MS-AMANDA ADVANCED PARAMETERS -->
713 <!-- Not working in tests
714 <conditional name="ms_amanda">
715 <param name="ms_amanda_advanced" type="select" label="MS Amanda Options">
716 <option value="yes">Advanced</option>
717 <option value="no" selected="True">Default</option>
656 </param> 718 </param>
657 </when> 719 <when value="no" />
658 </conditional> 720 <when value="yes">
659 721 <param name="ms_amanda_decoy" type="boolean" truevalue="1" falsevalue="0" checked="false"
660 <!-- MS-GF+ ADVANCED PARAMETERS --> 722 label="MS Amanda: Generate Decoys" help="generate decoys" />
661 <conditional name="msgf"> 723 <param name="ms_amanda_max_evalue" type="float" value="100"
662 <param name="msgf_advanced" type="select" label="MSGF Options"> 724 label="MS Amanda: Maximal Evalue" help="MS Amanda maximal evalue considered" />
663 <option value="yes">Advanced</option> 725 <param name="ms_amanda_instrument" label="MS Amanda: instrument" type="float" value="100" help="MS Amanda instrument id option. Available enzymes are listed in the GUI. (Note: case sensitive.)." />
664 <option value="no" selected="True">Default</option> 726 <param name="ms_amanda_max_rank" type="integer" value="5"
665 </param> 727 label="MS Amanda: Maximum Rank" help="MS Amanda maximum rank" />
666 <when value="no" /> 728 <param name="ms_amanda_mono" type="boolean" truevalue="1" falsevalue="0" checked="true"
667 <when value="yes"> 729 label="MS Amanda: Use Monoisotopic Mass Values" help="MS Amanda use monoisotopic mass values" />
668 <param name="msgf_decoy" type="boolean" truevalue="1" falsevalue="0" checked="false" 730 </when>
669 label="MSGF: Search Decoys" help="If yes then a decoy database will be generated and searched. Assumed input database contains no decoys"/> 731 </conditional>
670 <param name="msgf_min_pep_length" type="integer" value="6" 732 -->
671 label="MSGF: Minimum Peptide Length" help="Minimum length for a peptide to be considered"/> 733
672 <param name="msgf_max_pep_length" type="integer" value="30" 734
673 label="MSGF: Maximum Peptide Length" help="Maximum length for a peptide to be considered"/> 735 <!-- TIDE ADVANCED PARAMETERS -->
674 <param name="msgf_termini" type="select" format="text" 736 <!-- Not working in tests
675 label="MSGF: Number of tolerable termini" help="Searches will take much longer if selecting a value other than 2"> 737 <conditional name="tide">
676 <option value="0">0 (ie non-specific cleavage)</option> 738 <param name="tide_advanced" type="select" label="TIDE Options">
677 <option value="1">1 (ie semi-tryptic cleavage)</option> 739 <option value="yes">Advanced</option>
678 <option value="2" selected="true">2 (ie fully-tryptic cleavage)</option> 740 <option value="no" selected="True">Default</option>
679 </param> 741 </param>
680 <param name="msgf_num_ptms" label="MSGF: Max PTMs per peptide" type="integer" value="2"/> 742 <when value="no" />
681 743 <when value="yes">
682 <param name="msgf_instrument" label="MSGF: Instrument type" type="select" help="Identifier of the instrument to generate MS/MS spectra (used to determine the scoring model)"> 744 <param name="tide_num_ptms" type="integer" value="100"
683 <option value="0" selected="True">Low-res LCQ/LTQ</option> 745 label="TIDE: Maximum Number of PTMs" help="Set the maximum number of PTMs on peptide to be considered"/>
684 <option value="1" >High-res LTQ</option> 746 <param name="tide_num_ptms_per_type" type="integer" value="2"
685 <option value="2" >TOF</option> 747 label="TIDE: Maximum Number of PTMs of each Type" help="Set the maximum number of PTMs of each type to be considered"/>
686 <option value="3" >Q-Exactive</option> 748 <param name="tide_min_pep_length" type="integer" value="6"
749 label="TIDE: Minimum Peptide Length" help="Set the minimum length of peptide to be considered"/>
750 <param name="tide_max_pep_length" type="integer" value="30"
751 label="TIDE: Maximum Peptide Length" help="Set the maximum length of peptide to be considered"/>
752 <param name="tide_min_prec_mass" type="float" value="200.0"
753 label="TIDE: Minimum Precursor Mass" help="Set the minimum precursor mass to be considered"/>
754 <param name="tide_max_prec_mass" type="float" value="7200.0"
755 label="TIDE: Maximum Precursor Mass" help="Set the maximum precursor mass to be considered"/>
756 <param name="tide_decoy_format" label="TIDE: Decoy Format" type="select" help="Select the format for generating the decoy sequences">
757 <option value="none" selected="True">none</option>
758 <option value="shuffle" >shuffle</option>
759 <option value="peptide-revers" >peptide-reverse</option>
760 <option value="protein-reverse" >protein-reverse</option>
761 </param>
762 <param name="tide_keep_terminals" label="TIDE: Keep Terminals" type="select" help="Select to keep the terminal amino acids when creating decoys">
763 <option value="N" >N</option>
764 <option value="C" >C</option>
765 <option value="NC" selected="True">NC</option>
766 <option value="non" >none</option>
767 </param>
768 <param name="tide_decoy_seed" type="integer" value="1"
769 label="TIDE: Decoy Seed" help="Set the decoy seed"/>
770 <param name="tide_output_folder" type="text" value="crux-output"
771 label="TIDE: Output Folder" help="Set the results output folder (relative to the Tide working folder)"/>
772 <param name="tide_print_peptides" type="boolean" truevalue="1" falsevalue="0" checked="false"
773 label="TIDE: Print Peptides" help="If true, the peptides will be printed in the output"/>
774 <param name="tide_verbosity" label="TIDE: Progress Display Verbosity" type="select" help="Select the display verbosity level to report the search progress">
775 <option value="0" >0</option>
776 <option value="10" >10</option>
777 <option value="20" >20</option>
778 <option value="30" selected="True">30</option>
779 <option value="40" >40</option>
780 <option value="50" >50</option>
781 <option value="60" >60</option>
782 </param>
783
784 <param name="tide_monoisotopic" type="boolean" truevalue="1" falsevalue="0" checked="true"
785 label="TIDE: Monoisotopic" help="If true, the precursor mass is monoisotopic"/>
786 <param name="tide_clip_n_term" type="boolean" truevalue="1" falsevalue="0" checked="false"
787 label="TIDE: Clip Nterm Methionine" help="If true, the Nterm Methionine will be clipped"/>
788 <param name="tide_digestion_type" label="TIDE: Digestion Type" type="select" help="Either both ends (full-digest) or at least one end (partial-digest) of a peptide must conform to enzyme specificity rules">
789 <option value="full-digest" selected="True">full-digest</option>
790 <option value="partial-digest" >partial-digest</option>
791 </param>
792 <param name="tide_compute_sp" type="boolean" truevalue="1" falsevalue="0" checked="false"
793 label="TIDE: Compute SP" help="If true, the SP-score is calculated"/>
794 <param name="tide_max_psms" type="integer" value="10"
795 label="TIDE: Maximum Number of PSMs" help="Set the maximum number of PSMs to be considered"/>
796 <param name="tide_compute_p" type="boolean" truevalue="1" falsevalue="0" checked="false"
797 label="TIDE: Compute Exact P-value" help="If true, the exact p-values are calculated"/>
798 <param name="tide_min_spectrum_mz" type="float" value="0.0"
799 label="TIDE: Minimum Spectrum m/z" help="Set the minimum spectrum m/z value for a spectrum to be considered"/>
800 <param name="tide_max_spectrum_mz" type="float" value="100000.0"
801 label="TIDE: Maximum Spectrum m/z" help="Set the maximum spectrum m/z value for a spectrum to be considered"/>
802 <param name="tide_min_spectrum_peaks" type="integer" value="20"
803 label="TIDE: Minimum Spectrum Peaks" help="Set the minimum amount of peaks in a spectrum for it to be considered"/>
804 <param name="tide_spectrum_charges" label="TIDE: Spectrum Charges" type="select" help="Select what precursor charges should be taken into account for matching">
805 <option value="1" >1</option>
806 <option value="2" >2</option>
807 <option value="3" >3</option>
808 <option value="all" selected="True">all</option>
809 </param>
810 <param name="tide_remove_prec" type="boolean" truevalue="1" falsevalue="0" checked="false"
811 label="TIDE: Remove Precursor" help="If true, the peak that corresponds to the precursor mass is excluded"/>
812 <param name="tide_remove_prec_tol" type="float" value="1.5"
813 label="TIDE: Remove Precursor Tolerance" help="Choose the threshold for precursor mass searching (for precursor peak removal)"/>
814 <param name="tide_progress_indicator" type="integer" value="1000"
815 label="TIDE: Progress Indicator" help="Choose the progress indicator frequency (in number of fragmentation spectra processed)"/>
816 <param name="tide_use_flanking" type="boolean" truevalue="1" falsevalue="0" checked="false"
817 label="TIDE: Use Flanking" help="Includes two flanking peaks on either side of each b- and y-ion to compute the XCorr"/>
818 <param name="tide_use_neutral_losses" type="boolean" truevalue="1" falsevalue="0" checked="false"
819 label="TIDE: Neutral Losses" help="Includes fragment peaks with neutral losses to perform the matching"/>
820 <param name="tide_mz_bin_width" type="float" value="0.02"
821 label="TIDE: mz Bin Width" help="Choose bin size to analyze the fragmentation spectrum"/>
822 <param name="tide_mz_bin_offset" type="float" value="0.0"
823 label="TIDE: mz Bin Offset" help="Choose bin offset to analyze the fragmentation spectrum"/>
824 <param name="tide_concat" type="boolean" truevalue="1" falsevalue="0" checked="false"
825 label="TIDE: Concat Target and Decoy" help="If true, the target results are concatenated with the decoy results"/>
826 <param name="tide_export_text" type="boolean" truevalue="1" falsevalue="0" checked="true"
827 label="TIDE: Export Text" help="If true, a text-formatted output file is exported"/>
828 <param name="tide_export_sqt" type="boolean" truevalue="1" falsevalue="0" checked="false"
829 label="TIDE: Export SQT" help="If true, a sqt-formatted output file is exported"/>
830 <param name="tide_export_pepxml" type="boolean" truevalue="1" falsevalue="0" checked="false"
831 label="TIDE: Export Pepxml" help="If true, a pepxml output file is exported"/>
832 <param name="tide_export_mzid" type="boolean" truevalue="1" falsevalue="0" checked="false"
833 label="TIDE: Export Mzid" help="If true, a mzid output file is exported"/>
834 <param name="tide_export_pin" type="boolean" truevalue="1" falsevalue="0" checked="false"
835 label="TIDE: Export Percolator Input File" help="If true, a percolator input file is exported"/>
836 <param name="tide_remove_temp" type="boolean" truevalue="1" falsevalue="0" checked="true"
837 label="TIDE: Remove Temp Folders" help="If true, the temp folders are removed when the search is done"/>
838 </when>
839 </conditional>
840 -->
841
842 <!-- MyriMatch ADVANCED PARAMETERS -->
843 <!-- Not working in tests
844 <conditional name="myrimatch">
845 <param name="myrimatch_advanced" type="select" label="MyriMatch Options">
846 <option value="yes">Advanced</option>
847 <option value="no" selected="True">Default</option>
687 </param> 848 </param>
688 <param name="msgf_fragmentation" label="MSGF: Fragmentation type" type="select" help="Fragmentation method identifier (used to determine the scoring model)"> 849 <when value="no" />
689 <option value="0" selected="True">As written in the spectrum or CID if no info</option> 850 <when value="yes">
690 <option value="1" >CID</option> 851 <param name="myrimatch_min_pep_length" type="integer" value="6"
691 <option value="2" >ETD</option> 852 label="MyriMatch: Minimum Peptide Length" help="Minimum length for a peptide to be considered" />
692 <option value="3" >HCD</option> 853 <param name="myrimatch_max_pep_length" type="integer" value="30"
854 label="MyriMatch: Maximum Peptide Length" help="Maximum length for a peptide to be considered" />
855 <param name="myrimatch_min_prec_mass" type="float" value="0.0"
856 label="MyriMatch: Minimum Peptide Mass" help="Minimum 1+ mass of parent ion to be considered" />
857 <param name="myrimatch_max_prec_mass" type="float" value="10000.0"
858 label="MyriMatch: Maximum Peptide Mass" help="Maximum 1+ mass of parent ion to be considered" />
859 <param name="myrimatch_num_matches" type="integer" value="10"
860 label="MyriMatch: Maximum Number of Spectrum Matches" help="Set the value for the maximum number of spectrum matches" />
861 <param name="myrimatch_num_ptms" type="integer" value="2"
862 label="MyriMatch: Number of PTMs" help="Set the number of PTMS allowed per peptide" />
863 <param name="myrimatch_fragmentation" label="MyriMatch: Fragmentation Method" type="select" help="Choose the fragmentation method used (CID: b,y) or (ETD: c, z*)">
864 <option value="CID" selected="True">CID</option>
865 <option value="ETD" >ETD</option>
866 </param>
867 <param name="myrimatch_termini" label="MyriMatch: Number of Enzymatic Termini" type="select" help="Select the number of enzymatic termini">
868 <option value="0">non-tryptic</option>
869 <option value="1" >semi-tryptic</option>
870 <option value="2" selected="True" >fully-tryptic</option>
871 </param>
872 <param name="myrimatch_plus_three" type="boolean" truevalue="1" falsevalue="0" checked="true"
873 label="MyriMatch: Smart Plus Three Option" help="Defines what algorithms are used to generate a set of theoretical fragment ions" />
874 <param name="myrimatch_xcorr" type="boolean" truevalue="1" falsevalue="0" checked="false"
875 label="MyriMatch: Xcorr Option" help="a Sequest-like cross correlation score can be calculated for the top ranking hits" />
876 <param name="myrimatch_tic_cutoff" type="float" value="0.98"
877 label="MyriMatch: TIC cutoff percentage" help="Cumulative ion current of picked peaks divided by TIC >= this value for peaks to be retained" />
878 <param name="myrimatch_intensity_classes" type="integer" value="3"
879 label="MyriMatch: Number of Intensity Classes" help="Experimental spectra have their peaks stratified into this number of intensity classed" />
880 <param name="myrimatch_class_multiplier" type="integer" value="2"
881 label="MyriMatch: Class Multiplier" help="Has to do with previous option, this parameter controls the size of each class relative to the class above" />
882 <param name="myrimatch_num_batches" type="integer" value="50"
883 label="MyriMatch: Number of Batches" help="The number of batches per node to strive for when usinge the MPI-based parallelization features" />
884 <param name="myrimatch_max_peak" type="integer" value="100"
885 label="MyriMatch: Maximum Peak Count" help="Maximum number of peaks to be used from a spectrum" />
886 </when>
887 </conditional>
888 -->
889
890 <!-- Andromeda ADVANCED PARAMETERS -->
891 <!-- Windows only
892 <conditional name="andromeda">
893 <param name="andromeda_advanced" type="select" label="Andromeda Options">
894 <option value="yes">Advanced</option>
895 <option value="no" selected="True">Default</option>
693 </param> 896 </param>
694 <param name="msgf_protocol" label="MSGF: Protocol type" type="select" help="Protocol identifier. Protocols are used to enable scoring parameters for enriched and/or labeled samples"> 897 <when value="no" />
695 <option value="0" selected="True">Automatic</option> 898 <when value="yes">
696 <option value="1" >Phosphorylation</option> 899 <param name="andromeda_max_pep_mass" type="float" value="4600.0" label="Andromeda maximum peptide mass, default is: 4600.0" />
697 <option value="2" >iTRAQ</option> 900 <param name="andromeda_max_comb" type="integer" value="250" label="Andromeda maximum combinations, default is: 250" />
698 <option value="3" >iTRAQPhospho</option> 901 <param name="andromeda_top_peaks" type="integer" value="8" label="Andromeda number of top peaks, default is: 8" />
699 <option value="4" >TMT</option> 902 <param name="andromeda_top_peaks_window" type="integer" value="100" label="Andromeda top peaks window width, default is: 100" />
700 <option value="5" >Standard</option> 903 <param name="andromeda_incl_water" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda account for water losses, default is: true" />
904 <param name="andromeda_incl_ammonia" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda account for ammonina losses, default is: true" />
905 <param name="andromeda_neutral_losses" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda neutral losses are sequence dependent, default is: true" />
906 <param name="andromeda_fragment_all" type="boolean" truevalue="1" falsevalue="0" checked="false" label="Andromeda fragment all option, default is: false" />
907 <param name="andromeda_emp_correction" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda emperical correction, default is: true" />
908 <param name="andromeda_higher_charge" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda higher charge option, default is: true" />
909 <param name="andromeda_equal_il" type="boolean" truevalue="1" falsevalue="0" checked="false" label="Andromeda whether I and L should be considered indistinguishable, default is: false" />
910 <param name="andromeda_frag_method" type="select" value="" label="Andromeda fragmentation method, (HCD, CID or EDT), default is: CID." >
911 <option value="CID" selected="true">CID</option>
912 <option value="HCD">HCD</option>
913 <option value="EDT">EDT</option>
914 </param>
915 <param name="andromeda_max_mods" type="integer" value="5" label="Andromeda maximum number of modifications, default is: 5" />
916 <param name="andromeda_min_pep_length" type="integer" value="8" label="Andromeda minimum peptide length when using no enzyme, default is: 8" />
917 <param name="andromeda_max_pep_length" type="integer" value="25" label="Andromeda maximum peptide length when using no enzyme, default is: 25" />
918 <param name="andromeda_max_psms" type="integer" value="10" label="Andromeda maximum number of spectrum matches spectrum, default is: 10" />
919 <param name="andromeda_decoy_mode" type="boolean" truevalue="decoy" falsevalue="none" checked="false" label="Andromeda decoy mode" />
920 </when>
921 </conditional>
922 -->
923
924 <!-- Comet ADVANCED PARAMETERS -->
925 <conditional name="comet">
926 <param name="comet_advanced" type="select" label="Comet Options">
927 <option value="yes">Advanced</option>
928 <option value="no" selected="True">Default</option>
701 </param> 929 </param>
702 <param name="msgf_num_matches" label="MSGF: Maximum Number of Spectrum Matches" type="integer" value="1" help="Number of peptide matches per spectrum to report" /> 930 <when value="no" />
703 <param name="msgf_additional" label="MS-GF+ additional features" type="select" help="Additional features to export"> 931 <when value="yes">
704 <option value="0" selected="True">output basic scores only</option> 932 <!-- Spectrum Related parameters -->
705 <option value="1" >output additional features</option> 933 <conditional name="comet_spectrum">
934 <param name="comet_spectrum_selector" type="select" label="Comet: Spectrum Related">
935 <option value="yes">Set Spectrum Parameters</option>
936 <option value="no" selected="True">Keep Default Spectrum Parameters</option>
937 </param>
938 <when value="no" />
939 <when value="yes">
940 <param name="comet_min_peaks" type="integer" value="10"
941 label="Comet: Minimum Number of Peaks per Spectrum" help="The minimum number of peaks per spectrum" />
942 <param name="comet_min_peak_int" type="float" value="0.0"
943 label="Comet: Minimum Peaks Intensity" help="The minimum intensity for input peaks to be considered" />
944 <conditional name="comet_prec">
945 <param name="comet_remove_prec" label="Comet: Remove Precursor" type="select" help="Select for precursor m/z signal removal">
946 <option value="0" selected="True" >off</option>
947 <option value="1">on</option>
948 <option value="2">as expected for ETD/ECD spectra</option>
949 </param>
950 <when value="0" />
951 <when value="1">
952 <param name="comet_remove_prec_tol" type="float" value="1.5"
953 label="Comet: Remove Precursor Tolerance" />
954 </when>
955 <when value="2">
956 <param name="comet_remove_prec_tol" type="float" value="1.5"
957 label="Comet: Remove Precursor Tolerance" />
958 </when>
959 </conditional>
960 <param name="comet_clear_mz_range_lower" type="float" value="0.0"
961 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" />
962 <param name="comet_clear_mz_range_upper" type="float" value="0.0"
963 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" />
964 </when>
965 </conditional>
966 <!-- Search Related parameters -->
967 <conditional name="comet_search">
968 <param name="comet_search_selector" type="select" label="Comet: Search Related">
969 <option value="yes">Set Search Parameters</option>
970 <option value="no" selected="True">Keep Default Search Parameters</option>
971 </param>
972 <when value="no" />
973 <when value="yes">
974 <param name="comet_enzyme_type" label="Comet: Enzyme Type" type="select" help="Specifies the number of enzyme termini a peptide must have">
975 <option value="1">semi-specific</option>
976 <option value="2" selected="True">full-enzyme</option>
977 <option value="8">unspecific N-term</option>
978 <option value="9">unspecific C-term</option>
979 </param>
980 <param name="comet_isotope_correction" label="Comet: Isotope Correction" type="select" help="Controls whether the peptide_mass_tolerance takes into account possible isotope errors in the precursor mass measurement">
981 <option value="0" selected="True">off</option>
982 <option value="1">-1,0,+1,+2,+3</option>
983 <option value="2">-8,-4,0,+4,+8</option>
984 </param>
985 <param name="comet_min_prec_mass" type="float" value="0.0"
986 label="Comet: Minimum Precursor Mass" help="The minimum precursor mass considered" />
987 <param name="comet_max_prec_mass" type="float" value="10000.0"
988 label="Comet: Maximum Precursor Mass" help="The maximum precursor mass considered" />
989 <param name="comet_num_matches" type="integer" value="10"
990 label="Comet: Maximum Number of Matches" help="The maximum number of peptide matches per spectrum" />
991 <param name="comet_max_frag_charge" type="integer" value="3"
992 label="Comet: Maximum Fragment Charge" help="Sets the maximum fragment charge (fill value between 1 and 5)" />
993 <param name="comet_remove_meth" type="boolean" truevalue="1" falsevalue="0" checked="false"
994 label="Comet: Remove Methionine" help="Specifies whether the N-terminal methionine is cleaved prior to matching" />
995 <param name="comet_batch_size" type="integer" value="0"
996 label="Comet: Batch Size" help="0 means load and search all spectra at once, otherwise spectra are loaded and searched in batches of the number specified" />
997 <param name="comet_num_ptms" type="integer" value="10"
998 label="Comet: Maximum Number of PTMs" help="The maximum number of ptms per peptide" />
999 </when>
1000 </conditional>
1001 <!-- Fragment Ions Related parameters -->
1002 <conditional name="comet_fragment_ions">
1003 <param name="comet_fragment_ions_selector" type="select" label="Comet: Fragment Ions Related">
1004 <option value="yes">Set Fragment Ions Parameters</option>
1005 <option value="no" selected="True">Keep Default Fragment Ions Parameters</option>
1006 </param>
1007 <when value="no" />
1008 <when value="yes">
1009 <param name="comet_frag_bin_offset" type="float" value="0.4"
1010 label="Comet: Fragment Bin Offset" help="Controls how each fragment bin is defined in terms of where each bin starts" />
1011 <param name="comet_sparse_matrix" type="boolean" truevalue="1" falsevalue="0" checked="true"
1012 label="Comet: Fragment Sparse Matrix" help="Controls whether or not internal sparse matrix data representation is used to lower memory usage" />
1013 <param name="comet_theoretical_fragment_ions" type="integer" value="0"
1014 label="Comet: Theoretical Fragment Ions" help="Specifies how theoretical fragment ion peaks are represented (0 or 1 values are allowed)" />
1015 </when>
1016 </conditional>
1017 </when>
1018 </conditional>
1019 <conditional name="directtag">
1020 <param name="directtag_advanced" type="select" label="DirectTag Options">
1021 <option value="yes">Advanced</option>
1022 <option value="no" selected="True">Default</option>
706 </param> 1023 </param>
707 </when> 1024 <when value="no" />
708 </conditional> 1025 <when value="yes">
709 1026 <param name="directag_tic_cutoff" type="integer" value="85" label="DirecTag TIC cutoff in percent, default is '85'."/>
710 <!-- MS-AMANDA ADVANCED PARAMETERS --> 1027 <param name="directag_max_peak_count" type="integer" value="400" label="DirecTag max peak count, default is '400'."/>
711 <!-- Not working in tests 1028 <param name="directag_intensity_classes" type="integer" value="3" label="DirecTag number of intensity classses, default is '3'."/>
712 <conditional name="ms_amanda"> 1029 <param name="directag_adjust_precursor" type="boolean" truevalue="1" falsevalue="0" checked="false" label="DirecTag adjust precursor, default is false."/>
713 <param name="ms_amanda_advanced" type="select" label="MS Amanda Options"> 1030 <param name="directag_min_adjustment" type="float" value="-2.5" label="DirecTag minimum precursor adjustment, default is '-2.5'."/>
714 <option value="yes">Advanced</option> 1031 <param name="directag_max_adjustment" type="float" value="2.5" label="DirecTag maximum precursor adjustment, default is '2.5'."/>
715 <option value="no" selected="True">Default</option> 1032 <param name="directag_adjustment_step" type="float" value="0.1" label="DirecTag precursor adjustment step, default is '0.1'."/>
716 </param> 1033 <param name="directag_charge_states" type="integer" value="3" label="DirecTag number of charge states considered, default is '3'."/>
717 <when value="no" /> 1034 <param name="directag_output_suffix" type="text" value="" label="DirecTag output suffix, default is no suffix."/>
718 <when value="yes"> 1035 <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."/>
719 <param name="ms_amanda_decoy" type="boolean" truevalue="1" falsevalue="0" checked="false" 1036 <param name="directag_duplicate_spectra" type="boolean" truevalue="1" falsevalue="0" checked="true" label="DirecTag duplicate spectra per charge, default is true."/>
720 label="MS Amanda: Generate Decoys" help="generate decoys" /> 1037 <param name="directag_deisotoping" type="select" label="DirecTag deisotoping mode, default is no deisotoping">
721 <param name="ms_amanda_max_evalue" type="float" value="100" 1038 <option value="0" selected="true">no deisotoping</option>
722 label="MS Amanda: Maximal Evalue" help="MS Amanda maximal evalue considered" /> 1039 <option value="1">precursor only</option>
723 <param name="ms_amanda_instrument" label="MS Amanda: instrument" type="float" value="100" help="MS Amanda instrument id option. Available enzymes are listed in the GUI. (Note: case sensitive.)." /> 1040 <option value="2">precursor and candidate</option>
724 <param name="ms_amanda_max_rank" type="integer" value="5" 1041 </param>
725 label="MS Amanda: Maximum Rank" help="MS Amanda maximum rank" /> 1042 <param name="directag_isotope_tolerance" type="float" value="0.25" label="DirecTag isotope mz tolerance, default is '0.25'."/>
726 <param name="ms_amanda_mono" type="boolean" truevalue="1" falsevalue="0" checked="true" 1043 <param name="directag_complement_tolerance" type="float" value="0.5" label="DirecTag complement mz tolerance, default is '0.5'."/>
727 label="MS Amanda: Use Monoisotopic Mass Values" help="MS Amanda use monoisotopic mass values" /> 1044 <param name="directag_tag_length" type="integer" value="3" label="DirecTag tag length, default is '3'."/>
728 </when> 1045 <param name="directag_max_var_mods" type="integer" value="2" label="DirecTag maximum variable modifications per sequence, default is '2'."/>
729 </conditional> 1046 <param name="directag_max_tag_count" type="integer" value="20" label="DirecTag maximum tag count, default is '20'."/>
730 --> 1047 <param name="directag_intensity_weight" type="float" value="1.0" label="DirecTag intensity score weight, default is '1.0'."/>
731 1048 <param name="directag_fidelity_weight" type="float" value="1.0" label="DirecTag fidelity score weight, default is '1.0'."/>
732 1049 <param name="directag_complement_weight" type="float" value="1.0" label="DirecTag complement_score_weight, default is '1.0'."/>
733 <!-- TIDE ADVANCED PARAMETERS --> 1050 </when>
734 <!-- Not working in tests 1051 </conditional>
735 <conditional name="tide"> 1052
736 <param name="tide_advanced" type="select" label="TIDE Options"> 1053 <conditional name="novor">
737 <option value="yes">Advanced</option> 1054 <param name="novor_advanced" type="select" label="Novor Options">
738 <option value="no" selected="True">Default</option> 1055 <option value="yes">Advanced</option>
739 </param> 1056 <option value="no" selected="True">Default</option>
740 <when value="no" />
741 <when value="yes">
742 <param name="tide_num_ptms" type="integer" value="100"
743 label="TIDE: Maximum Number of PTMs" help="Set the maximum number of PTMs on peptide to be considered"/>
744 <param name="tide_num_ptms_per_type" type="integer" value="2"
745 label="TIDE: Maximum Number of PTMs of each Type" help="Set the maximum number of PTMs of each type to be considered"/>
746 <param name="tide_min_pep_length" type="integer" value="6"
747 label="TIDE: Minimum Peptide Length" help="Set the minimum length of peptide to be considered"/>
748 <param name="tide_max_pep_length" type="integer" value="30"
749 label="TIDE: Maximum Peptide Length" help="Set the maximum length of peptide to be considered"/>
750 <param name="tide_min_prec_mass" type="float" value="200.0"
751 label="TIDE: Minimum Precursor Mass" help="Set the minimum precursor mass to be considered"/>
752 <param name="tide_max_prec_mass" type="float" value="7200.0"
753 label="TIDE: Maximum Precursor Mass" help="Set the maximum precursor mass to be considered"/>
754 <param name="tide_decoy_format" label="TIDE: Decoy Format" type="select" help="Select the format for generating the decoy sequences">
755 <option value="none" selected="True">none</option>
756 <option value="shuffle" >shuffle</option>
757 <option value="peptide-revers" >peptide-reverse</option>
758 <option value="protein-reverse" >protein-reverse</option>
759 </param> 1057 </param>
760 <param name="tide_keep_terminals" label="TIDE: Keep Terminals" type="select" help="Select to keep the terminal amino acids when creating decoys"> 1058 <when value="no" />
761 <option value="N" >N</option> 1059 <when value="yes">
762 <option value="C" >C</option> 1060 <param name="novor_fragmentation" type="select" label="Novor fragmentation method">
763 <option value="NC" selected="True">NC</option> 1061 <option value="HCD" selected="True">HCD</option>
764 <option value="non" >none</option> 1062 <option value="CID">CID</option>
765 </param> 1063 </param>
766 <param name="tide_decoy_seed" type="integer" value="1" 1064 <param name="novor_mass_analyzer" label="Novor: mass analyzer" type="select" help="Identifier of the instrument to generate MS/MS spectra">
767 label="TIDE: Decoy Seed" help="Set the decoy seed"/> 1065 <option value="FT" selected="True">FT</option>
768 <param name="tide_output_folder" type="text" value="crux-output" 1066 <option value="Trap" >Trap</option>
769 label="TIDE: Output Folder" help="Set the results output folder (relative to the Tide working folder)"/> 1067 <option value="TOF" >TOF</option>
770 <param name="tide_print_peptides" type="boolean" truevalue="1" falsevalue="0" checked="false" 1068 </param>
771 label="TIDE: Print Peptides" help="If true, the peptides will be printed in the output"/> 1069 </when>
772 <param name="tide_verbosity" label="TIDE: Progress Display Verbosity" type="select" help="Select the display verbosity level to report the search progress"> 1070 </conditional>
773 <option value="0" >0</option> 1071 </section>
774 <option value="10" >10</option>
775 <option value="20" >20</option>
776 <option value="30" selected="True">30</option>
777 <option value="40" >40</option>
778 <option value="50" >50</option>
779 <option value="60" >60</option>
780 </param>
781
782 <param name="tide_monoisotopic" type="boolean" truevalue="1" falsevalue="0" checked="true"
783 label="TIDE: Monoisotopic" help="If true, the precursor mass is monoisotopic"/>
784 <param name="tide_clip_n_term" type="boolean" truevalue="1" falsevalue="0" checked="false"
785 label="TIDE: Clip Nterm Methionine" help="If true, the Nterm Methionine will be clipped"/>
786 <param name="tide_digestion_type" label="TIDE: Digestion Type" type="select" help="Either both ends (full-digest) or at least one end (partial-digest) of a peptide must conform to enzyme specificity rules">
787 <option value="full-digest" selected="True">full-digest</option>
788 <option value="partial-digest" >partial-digest</option>
789 </param>
790 <param name="tide_compute_sp" type="boolean" truevalue="1" falsevalue="0" checked="false"
791 label="TIDE: Compute SP" help="If true, the SP-score is calculated"/>
792 <param name="tide_max_psms" type="integer" value="10"
793 label="TIDE: Maximum Number of PSMs" help="Set the maximum number of PSMs to be considered"/>
794 <param name="tide_compute_p" type="boolean" truevalue="1" falsevalue="0" checked="false"
795 label="TIDE: Compute Exact P-value" help="If true, the exact p-values are calculated"/>
796 <param name="tide_min_spectrum_mz" type="float" value="0.0"
797 label="TIDE: Minimum Spectrum m/z" help="Set the minimum spectrum m/z value for a spectrum to be considered"/>
798 <param name="tide_max_spectrum_mz" type="float" value="100000.0"
799 label="TIDE: Maximum Spectrum m/z" help="Set the maximum spectrum m/z value for a spectrum to be considered"/>
800 <param name="tide_min_spectrum_peaks" type="integer" value="20"
801 label="TIDE: Minimum Spectrum Peaks" help="Set the minimum amount of peaks in a spectrum for it to be considered"/>
802 <param name="tide_spectrum_charges" label="TIDE: Spectrum Charges" type="select" help="Select what precursor charges should be taken into account for matching">
803 <option value="1" >1</option>
804 <option value="2" >2</option>
805 <option value="3" >3</option>
806 <option value="all" selected="True">all</option>
807 </param>
808 <param name="tide_remove_prec" type="boolean" truevalue="1" falsevalue="0" checked="false"
809 label="TIDE: Remove Precursor" help="If true, the peak that corresponds to the precursor mass is excluded"/>
810 <param name="tide_remove_prec_tol" type="float" value="1.5"
811 label="TIDE: Remove Precursor Tolerance" help="Choose the threshold for precursor mass searching (for precursor peak removal)"/>
812 <param name="tide_progress_indicator" type="integer" value="1000"
813 label="TIDE: Progress Indicator" help="Choose the progress indicator frequency (in number of fragmentation spectra processed)"/>
814 <param name="tide_use_flanking" type="boolean" truevalue="1" falsevalue="0" checked="false"
815 label="TIDE: Use Flanking" help="Includes two flanking peaks on either side of each b- and y-ion to compute the XCorr"/>
816 <param name="tide_use_neutral_losses" type="boolean" truevalue="1" falsevalue="0" checked="false"
817 label="TIDE: Neutral Losses" help="Includes fragment peaks with neutral losses to perform the matching"/>
818 <param name="tide_mz_bin_width" type="float" value="0.02"
819 label="TIDE: mz Bin Width" help="Choose bin size to analyze the fragmentation spectrum"/>
820 <param name="tide_mz_bin_offset" type="float" value="0.0"
821 label="TIDE: mz Bin Offset" help="Choose bin offset to analyze the fragmentation spectrum"/>
822 <param name="tide_concat" type="boolean" truevalue="1" falsevalue="0" checked="false"
823 label="TIDE: Concat Target and Decoy" help="If true, the target results are concatenated with the decoy results"/>
824 <param name="tide_export_text" type="boolean" truevalue="1" falsevalue="0" checked="true"
825 label="TIDE: Export Text" help="If true, a text-formatted output file is exported"/>
826 <param name="tide_export_sqt" type="boolean" truevalue="1" falsevalue="0" checked="false"
827 label="TIDE: Export SQT" help="If true, a sqt-formatted output file is exported"/>
828 <param name="tide_export_pepxml" type="boolean" truevalue="1" falsevalue="0" checked="false"
829 label="TIDE: Export Pepxml" help="If true, a pepxml output file is exported"/>
830 <param name="tide_export_mzid" type="boolean" truevalue="1" falsevalue="0" checked="false"
831 label="TIDE: Export Mzid" help="If true, a mzid output file is exported"/>
832 <param name="tide_export_pin" type="boolean" truevalue="1" falsevalue="0" checked="false"
833 label="TIDE: Export Percolator Input File" help="If true, a percolator input file is exported"/>
834 <param name="tide_remove_temp" type="boolean" truevalue="1" falsevalue="0" checked="true"
835 label="TIDE: Remove Temp Folders" help="If true, the temp folders are removed when the search is done"/>
836 </when>
837 </conditional>
838 -->
839
840 <!-- MyriMatch ADVANCED PARAMETERS -->
841 <!-- Not working in tests
842 <conditional name="myrimatch">
843 <param name="myrimatch_advanced" type="select" label="MyriMatch Options">
844 <option value="yes">Advanced</option>
845 <option value="no" selected="True">Default</option>
846 </param>
847 <when value="no" />
848 <when value="yes">
849 <param name="myrimatch_min_pep_length" type="integer" value="6"
850 label="MyriMatch: Minimum Peptide Length" help="Minimum length for a peptide to be considered" />
851 <param name="myrimatch_max_pep_length" type="integer" value="30"
852 label="MyriMatch: Maximum Peptide Length" help="Maximum length for a peptide to be considered" />
853 <param name="myrimatch_min_prec_mass" type="float" value="0.0"
854 label="MyriMatch: Minimum Peptide Mass" help="Minimum 1+ mass of parent ion to be considered" />
855 <param name="myrimatch_max_prec_mass" type="float" value="10000.0"
856 label="MyriMatch: Maximum Peptide Mass" help="Maximum 1+ mass of parent ion to be considered" />
857 <param name="myrimatch_num_matches" type="integer" value="10"
858 label="MyriMatch: Maximum Number of Spectrum Matches" help="Set the value for the maximum number of spectrum matches" />
859 <param name="myrimatch_num_ptms" type="integer" value="2"
860 label="MyriMatch: Number of PTMs" help="Set the number of PTMS allowed per peptide" />
861 <param name="myrimatch_fragmentation" label="MyriMatch: Fragmentation Method" type="select" help="Choose the fragmentation method used (CID: b,y) or (ETD: c, z*)">
862 <option value="CID" selected="True">CID</option>
863 <option value="ETD" >ETD</option>
864 </param>
865 <param name="myrimatch_termini" label="MyriMatch: Number of Enzymatic Termini" type="select" help="Select the number of enzymatic termini">
866 <option value="0">non-tryptic</option>
867 <option value="1" >semi-tryptic</option>
868 <option value="2" selected="True" >fully-tryptic</option>
869 </param>
870 <param name="myrimatch_plus_three" type="boolean" truevalue="1" falsevalue="0" checked="true"
871 label="MyriMatch: Smart Plus Three Option" help="Defines what algorithms are used to generate a set of theoretical fragment ions" />
872 <param name="myrimatch_xcorr" type="boolean" truevalue="1" falsevalue="0" checked="false"
873 label="MyriMatch: Xcorr Option" help="a Sequest-like cross correlation score can be calculated for the top ranking hits" />
874 <param name="myrimatch_tic_cutoff" type="float" value="0.98"
875 label="MyriMatch: TIC cutoff percentage" help="Cumulative ion current of picked peaks divided by TIC >= this value for peaks to be retained" />
876 <param name="myrimatch_intensity_classes" type="integer" value="3"
877 label="MyriMatch: Number of Intensity Classes" help="Experimental spectra have their peaks stratified into this number of intensity classed" />
878 <param name="myrimatch_class_multiplier" type="integer" value="2"
879 label="MyriMatch: Class Multiplier" help="Has to do with previous option, this parameter controls the size of each class relative to the class above" />
880 <param name="myrimatch_num_batches" type="integer" value="50"
881 label="MyriMatch: Number of Batches" help="The number of batches per node to strive for when usinge the MPI-based parallelization features" />
882 <param name="myrimatch_max_peak" type="integer" value="100"
883 label="MyriMatch: Maximum Peak Count" help="Maximum number of peaks to be used from a spectrum" />
884 </when>
885 </conditional>
886 -->
887
888 <!-- Andromeda ADVANCED PARAMETERS -->
889 <!-- Windows only
890 <conditional name="andromeda">
891 <param name="andromeda_advanced" type="select" label="Andromeda Options">
892 <option value="yes">Advanced</option>
893 <option value="no" selected="True">Default</option>
894 </param>
895 <when value="no" />
896 <when value="yes">
897 <param name="andromeda_max_pep_mass" type="float" value="4600.0" label="Andromeda maximum peptide mass, default is: 4600.0" />
898 <param name="andromeda_max_comb" type="integer" value="250" label="Andromeda maximum combinations, default is: 250" />
899 <param name="andromeda_top_peaks" type="integer" value="8" label="Andromeda number of top peaks, default is: 8" />
900 <param name="andromeda_top_peaks_window" type="integer" value="100" label="Andromeda top peaks window width, default is: 100" />
901 <param name="andromeda_incl_water" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda account for water losses, default is: true" />
902 <param name="andromeda_incl_ammonia" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda account for ammonina losses, default is: true" />
903 <param name="andromeda_neutral_losses" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda neutral losses are sequence dependent, default is: true" />
904 <param name="andromeda_fragment_all" type="boolean" truevalue="1" falsevalue="0" checked="false" label="Andromeda fragment all option, default is: false" />
905 <param name="andromeda_emp_correction" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda emperical correction, default is: true" />
906 <param name="andromeda_higher_charge" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Andromeda higher charge option, default is: true" />
907 <param name="andromeda_equal_il" type="boolean" truevalue="1" falsevalue="0" checked="false" label="Andromeda whether I and L should be considered indistinguishable, default is: false" />
908 <param name="andromeda_frag_method" type="select" value="" label="Andromeda fragmentation method, (HCD, CID or EDT), default is: CID." >
909 <option value="CID" selected="true">CID</option>
910 <option value="HCD">HCD</option>
911 <option value="EDT">EDT</option>
912 </param>
913 <param name="andromeda_max_mods" type="integer" value="5" label="Andromeda maximum number of modifications, default is: 5" />
914 <param name="andromeda_min_pep_length" type="integer" value="8" label="Andromeda minimum peptide length when using no enzyme, default is: 8" />
915 <param name="andromeda_max_pep_length" type="integer" value="25" label="Andromeda maximum peptide length when using no enzyme, default is: 25" />
916 <param name="andromeda_max_psms" type="integer" value="10" label="Andromeda maximum number of spectrum matches spectrum, default is: 10" />
917 <param name="andromeda_decoy_mode" type="boolean" truevalue="decoy" falsevalue="none" checked="false" label="Andromeda decoy mode" />
918 </when>
919 </conditional>
920 -->
921
922 <!-- Comet ADVANCED PARAMETERS -->
923 <conditional name="comet">
924 <param name="comet_advanced" type="select" label="Comet Options">
925 <option value="yes">Advanced</option>
926 <option value="no" selected="True">Default</option>
927 </param>
928 <when value="no" />
929 <when value="yes">
930 <!-- Spectrum Related parameters -->
931 <conditional name="comet_spectrum">
932 <param name="comet_spectrum_selector" type="select" label="Comet: Spectrum Related">
933 <option value="yes">Set Spectrum Parameters</option>
934 <option value="no" selected="True">Keep Default Spectrum Parameters</option>
935 </param>
936 <when value="no" />
937 <when value="yes">
938 <param name="comet_min_peaks" type="integer" value="10"
939 label="Comet: Minimum Number of Peaks per Spectrum" help="The minimum number of peaks per spectrum" />
940 <param name="comet_min_peak_int" type="float" value="0.0"
941 label="Comet: Minimum Peaks Intensity" help="The minimum intensity for input peaks to be considered" />
942 <conditional name="comet_prec">
943 <param name="comet_remove_prec" label="Comet: Remove Precursor" type="select" help="Select for precursor m/z signal removal">
944 <option value="0" selected="True" >off</option>
945 <option value="1">on</option>
946 <option value="2">as expected for ETD/ECD spectra</option>
947 </param>
948 <when value="0" />
949 <when value="1">
950 <param name="comet_remove_prec_tol" type="float" value="1.5"
951 label="Comet: Remove Precursor Tolerance" />
952 </when>
953 <when value="2">
954 <param name="comet_remove_prec_tol" type="float" value="1.5"
955 label="Comet: Remove Precursor Tolerance" />
956 </when>
957 </conditional>
958 <param name="comet_clear_mz_range_lower" type="float" value="0.0"
959 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" />
960 <param name="comet_clear_mz_range_upper" type="float" value="0.0"
961 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" />
962 </when>
963 </conditional>
964 <!-- Search Related parameters -->
965 <conditional name="comet_search">
966 <param name="comet_search_selector" type="select" label="Comet: Search Related">
967 <option value="yes">Set Search Parameters</option>
968 <option value="no" selected="True">Keep Default Search Parameters</option>
969 </param>
970 <when value="no" />
971 <when value="yes">
972 <param name="comet_enzyme_type" label="Comet: Enzyme Type" type="select" help="Specifies the number of enzyme termini a peptide must have">
973 <option value="1">semi-specific</option>
974 <option value="2" selected="True">full-enzyme</option>
975 <option value="8">unspecific N-term</option>
976 <option value="9">unspecific C-term</option>
977 </param>
978 <param name="comet_isotope_correction" label="Comet: Isotope Correction" type="select" help="Controls whether the peptide_mass_tolerance takes into account possible isotope errors in the precursor mass measurement">
979 <option value="0" selected="True">off</option>
980 <option value="1">-1,0,+1,+2,+3</option>
981 <option value="2">-8,-4,0,+4,+8</option>
982 </param>
983 <param name="comet_min_prec_mass" type="float" value="0.0"
984 label="Comet: Minimum Precursor Mass" help="The minimum precursor mass considered" />
985 <param name="comet_max_prec_mass" type="float" value="10000.0"
986 label="Comet: Maximum Precursor Mass" help="The maximum precursor mass considered" />
987 <param name="comet_num_matches" type="integer" value="10"
988 label="Comet: Maximum Number of Matches" help="The maximum number of peptide matches per spectrum" />
989 <param name="comet_max_frag_charge" type="integer" value="3"
990 label="Comet: Maximum Fragment Charge" help="Sets the maximum fragment charge (fill value between 1 and 5)" />
991 <param name="comet_remove_meth" type="boolean" truevalue="1" falsevalue="0" checked="false"
992 label="Comet: Remove Methionine" help="Specifies whether the N-terminal methionine is cleaved prior to matching" />
993 <param name="comet_batch_size" type="integer" value="0"
994 label="Comet: Batch Size" help="0 means load and search all spectra at once, otherwise spectra are loaded and searched in batches of the number specified" />
995 <param name="comet_num_ptms" type="integer" value="10"
996 label="Comet: Maximum Number of PTMs" help="The maximum number of ptms per peptide" />
997 </when>
998 </conditional>
999 <!-- Fragment Ions Related parameters -->
1000 <conditional name="comet_fragment_ions">
1001 <param name="comet_fragment_ions_selector" type="select" label="Comet: Fragment Ions Related">
1002 <option value="yes">Set Fragment Ions Parameters</option>
1003 <option value="no" selected="True">Keep Default Fragment Ions Parameters</option>
1004 </param>
1005 <when value="no" />
1006 <when value="yes">
1007 <param name="comet_frag_bin_offset" type="float" value="0.4"
1008 label="Comet: Fragment Bin Offset" help="Controls how each fragment bin is defined in terms of where each bin starts" />
1009 <param name="comet_sparse_matrix" type="boolean" truevalue="1" falsevalue="0" checked="true"
1010 label="Comet: Fragment Sparse Matrix" help="Controls whether or not internal sparse matrix data representation is used to lower memory usage" />
1011 <param name="comet_theoretical_fragment_ions" type="integer" value="0"
1012 label="Comet: Theoretical Fragment Ions" help="Specifies how theoretical fragment ion peaks are represented (0 or 1 values are allowed)" />
1013 </when>
1014 </conditional>
1015 </when>
1016 </conditional>
1017 <conditional name="directtag">
1018 <param name="directtag_advanced" type="select" label="DirectTag Options">
1019 <option value="yes">Advanced</option>
1020 <option value="no" selected="True">Default</option>
1021 </param>
1022 <when value="no" />
1023 <when value="yes">
1024 <param name="directag_tic_cutoff" type="integer" value="85" label="DirecTag TIC cutoff in percent, default is '85'."/>
1025 <param name="directag_max_peak_count" type="integer" value="400" label="DirecTag max peak count, default is '400'."/>
1026 <param name="directag_intensity_classes" type="integer" value="3" label="DirecTag number of intensity classses, default is '3'."/>
1027 <param name="directag_adjust_precursor" type="boolean" truevalue="1" falsevalue="0" checked="false" label="DirecTag adjust precursor, default is false."/>
1028 <param name="directag_min_adjustment" type="float" value="-2.5" label="DirecTag minimum precursor adjustment, default is '-2.5'."/>
1029 <param name="directag_max_adjustment" type="float" value="2.5" label="DirecTag maximum precursor adjustment, default is '2.5'."/>
1030 <param name="directag_adjustment_step" type="float" value="0.1" label="DirecTag precursor adjustment step, default is '0.1'."/>
1031 <param name="directag_charge_states" type="integer" value="3" label="DirecTag number of charge states considered, default is '3'."/>
1032 <param name="directag_output_suffix" type="text" value="" label="DirecTag output suffix, default is no suffix."/>
1033 <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."/>
1034 <param name="directag_duplicate_spectra" type="boolean" truevalue="1" falsevalue="0" checked="true" label="DirecTag duplicate spectra per charge, default is true."/>
1035 <param name="directag_deisotoping" type="select" label="DirecTag deisotoping mode, default is no deisotoping">
1036 <option value="0" selected="true">no deisotoping</option>
1037 <option value="1">precursor only</option>
1038 <option value="2">precursor and candidate</option>
1039 </param>
1040 <param name="directag_isotope_tolerance" type="float" value="0.25" label="DirecTag isotope mz tolerance, default is '0.25'."/>
1041 <param name="directag_complement_tolerance" type="float" value="0.5" label="DirecTag complement mz tolerance, default is '0.5'."/>
1042 <param name="directag_tag_length" type="integer" value="3" label="DirecTag tag length, default is '3'."/>
1043 <param name="directag_max_var_mods" type="integer" value="2" label="DirecTag maximum variable modifications per sequence, default is '2'."/>
1044 <param name="directag_max_tag_count" type="integer" value="20" label="DirecTag maximum tag count, default is '20'."/>
1045 <param name="directag_intensity_weight" type="float" value="1.0" label="DirecTag intensity score weight, default is '1.0'."/>
1046 <param name="directag_fidelity_weight" type="float" value="1.0" label="DirecTag fidelity score weight, default is '1.0'."/>
1047 <param name="directag_complement_weight" type="float" value="1.0" label="DirecTag complement_score_weight, default is '1.0'."/>
1048 </when>
1049 </conditional>
1050
1051 <conditional name="novor">
1052 <param name="novor_advanced" type="select" label="Novor Options">
1053 <option value="yes">Advanced</option>
1054 <option value="no" selected="True">Default</option>
1055 </param>
1056 <when value="no" />
1057 <when value="yes">
1058 <param name="novor_fragmentation" type="select" label="Novor fragmentation method">
1059 <option value="HCD" selected="True">HCD</option>
1060 <option value="CID">CID</option>
1061 </param>
1062 <param name="novor_mass_analyzer" label="Novor: mass analyzer" type="select" help="Identifier of the instrument to generate MS/MS spectra">
1063 <option value="FT" selected="True">FT</option>
1064 <option value="Trap" >Trap</option>
1065 <option value="TOF" >TOF</option>
1066 </param>
1067 </when>
1068 </conditional>
1069
1070 </inputs> 1072 </inputs>
1071 <outputs> 1073 <outputs>
1072 <data name="searchgui_results" format="searchgui_archive" from_work_dir="searchgui_out.zip" label="${tool.name} on ${on_string}" /> 1074 <data name="searchgui_results" format="searchgui_archive" from_work_dir="searchgui_out.zip" label="${tool.name} on ${on_string}" />
1073 </outputs> 1075 </outputs>
1074 <tests> 1076 <tests>