Mercurial > repos > galaxyp > openms_accuratemasssearch
diff AccurateMassSearch.xml @ 9:a7ef3b2f3621 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
author | galaxyp |
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date | Mon, 12 Feb 2018 13:14:34 -0500 |
parents | c869c0af9bca |
children | 96acf893530c |
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--- a/AccurateMassSearch.xml Thu Jan 11 17:46:10 2018 -0500 +++ b/AccurateMassSearch.xml Mon Feb 12 13:14:34 2018 -0500 @@ -1,8 +1,8 @@ <?xml version='1.0' encoding='UTF-8'?> -<!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.--> +<!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.--> <!--Proposed Tool Section: [Utilities]--> -<tool id="AccurateMassSearch" name="AccurateMassSearch" version="2.2.0"> - <description>Find potential HMDB ids within the given mass error window.</description> +<tool id="AccurateMassSearch" name="AccurateMassSearch" version="2.3.0"> + <description>Match MS signals to molecules from a database by mass.</description> <macros> <token name="@EXECUTABLE@">AccurateMassSearch</token> <import>macros.xml</import> @@ -21,11 +21,11 @@ #if $param_out_annotation: -out_annotation $param_out_annotation #end if -#if $param_positive_adducts_file: - -positive_adducts_file $param_positive_adducts_file +#if $param_positive_adducts: + -positive_adducts $param_positive_adducts #end if -#if $param_negative_adducts_file: - -negative_adducts_file $param_negative_adducts_file +#if $param_negative_adducts: + -negative_adducts $param_negative_adducts #end if -db:mapping #for token in $param_db_mapping: @@ -71,8 +71,8 @@ </command> <inputs> <param name="param_in" type="data" format="featurexml,consensusxml" optional="False" label="featureXML or consensusXML file" help="(-in) "/> - <param name="param_positive_adducts_file" type="data" format="tabular" optional="False" value="CHEMISTRY/PositiveAdducts.tsv" label="This file contains the list of potential positive adducts that will be looked for in the database" help="(-positive_adducts_file) Edit the list if you wish to exclude/include adducts. By default CHEMISTRY/PositiveAdducts.tsv in OpenMS/share is used! If empty, the default will be used"/> - <param name="param_negative_adducts_file" type="data" format="tabular" optional="False" value="CHEMISTRY/NegativeAdducts.tsv" label="This file contains the list of potential negative adducts that will be looked for in the database" help="(-negative_adducts_file) Edit the list if you wish to exclude/include adducts. By default CHEMISTRY/NegativeAdducts.tsv in OpenMS/share is used! If empty, the default will be used"/> + <param name="param_positive_adducts" type="data" format="tabular" optional="False" value="CHEMISTRY/PositiveAdducts.tsv" label="This file contains the list of potential positive adducts that will be looked for in the database" help="(-positive_adducts) Edit the list if you wish to exclude/include adducts. By default CHEMISTRY/PositiveAdducts.tsv in OpenMS/share is used! If empty, the default will be used"/> + <param name="param_negative_adducts" type="data" format="tabular" optional="False" value="CHEMISTRY/NegativeAdducts.tsv" label="This file contains the list of potential negative adducts that will be looked for in the database" help="(-negative_adducts) Edit the list if you wish to exclude/include adducts. By default CHEMISTRY/NegativeAdducts.tsv in OpenMS/share is used! If empty, the default will be used"/> <param name="param_db_mapping" type="data" format="tabular" multiple="true" optional="False" size="30" value="CHEMISTRY/HMDBMappingFile.tsv" label="Database input file(s), containing three tab-separated columns of mass, formula, identifie" help="(-mapping) If 'mass' is 0, it is re-computed from the molecular sum formula. By default CHEMISTRY/HMDBMappingFile.tsv in OpenMS/share is used! If empty, the default will be used"> <sanitizer> <valid initial="string.printable"> @@ -110,7 +110,7 @@ <data name="param_out" format="tabular"/> <data name="param_out_annotation" metadata_source="param_in" format="input"/> </outputs> - <help>Find potential HMDB ids within the given mass error window. + <help>Match MS signals to molecules from a database by mass. For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/UTILS_AccurateMassSearch.html</help>