Mercurial > repos > galaxyp > openms_featurelinkerlabeled
diff FeatureLinkerLabeled.xml @ 0:2fe5ef9f1760 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit fb85d488133bb2b5f483b52b2db0ac66038fafb8
author | galaxyp |
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date | Wed, 01 Mar 2017 12:45:07 -0500 |
parents | |
children | 77f29f5244d9 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/FeatureLinkerLabeled.xml Wed Mar 01 12:45:07 2017 -0500 @@ -0,0 +1,88 @@ +<?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.--> +<!--Proposed Tool Section: [Map Alignment]--> +<tool id="FeatureLinkerLabeled" name="FeatureLinkerLabeled" version="2.1.0"> + <description>Groups corresponding isotope-labeled features in a feature map.</description> + <macros> + <token name="@EXECUTABLE@">FeatureLinkerLabeled</token> + <import>macros.xml</import> + </macros> + <expand macro="references"/> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>FeatureLinkerLabeled + +#if $param_in: + -in $param_in +#end if +#if $param_out: + -out $param_out +#end if +#if $param_algorithm_rt_estimate: + -algorithm:rt_estimate $param_algorithm_rt_estimate +#end if +#if $param_algorithm_rt_pair_dist: + -algorithm:rt_pair_dist $param_algorithm_rt_pair_dist +#end if +#if $param_algorithm_rt_dev_low: + -algorithm:rt_dev_low $param_algorithm_rt_dev_low +#end if +#if $param_algorithm_rt_dev_high: + -algorithm:rt_dev_high $param_algorithm_rt_dev_high +#end if + +#if $rep_param_algorithm_mz_pair_dists: +-algorithm:mz_pair_dists + #for token in $rep_param_algorithm_mz_pair_dists: + #if " " in str(token): + "$token.param_algorithm_mz_pair_dists" + #else + $token.param_algorithm_mz_pair_dists + #end if + #end for +#end if +#if $param_algorithm_mz_dev: + -algorithm:mz_dev $param_algorithm_mz_dev +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_algorithm_mrm: + -algorithm:mrm +#end if +#end if +</command> + <inputs> + <param name="param_in" type="data" format="featurexml" optional="False" label="Input file" help="(-in) "/> + <param name="param_algorithm_rt_estimate" display="radio" type="select" optional="False" value="true" label="If 'true' the optimal RT pair distance and deviation are estimated by fitting a gaussian distribution to the histogram of pair distance" help="(-rt_estimate) Note that this works only datasets with a significant amount of pairs! If 'false' the parameters 'rt_pair_dist', 'rt_dev_low' and 'rt_dev_high' define the optimal distance"> + <option value="true" selected="true">true</option> + <option value="false">false</option> + </param> + <param name="param_algorithm_rt_pair_dist" type="float" value="-20.0" label="optimal pair distance in RT [sec] from light to heavy feature" help="(-rt_pair_dist) "/> + <param name="param_algorithm_rt_dev_low" type="float" min="0.0" optional="True" value="15.0" label="maximum allowed deviation below optimal retention time distance" help="(-rt_dev_low) "/> + <param name="param_algorithm_rt_dev_high" type="float" min="0.0" optional="True" value="15.0" label="maximum allowed deviation above optimal retention time distance" help="(-rt_dev_high) "/> + <repeat name="rep_param_algorithm_mz_pair_dists" min="0" max="1" title="param_algorithm_mz_pair_dists"> + <param name="param_algorithm_mz_pair_dists" type="text" size="30" value="4.0" label="optimal pair distances in m/z [Th] for features with charge +1 (adapted to +2, +3, ." help="(-mz_pair_dists) by division through charge)"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + </repeat> + <param name="param_algorithm_mz_dev" type="float" min="0.0" optional="True" value="0.05" label="maximum allowed deviation from optimal m/z distance" help="(-mz_dev) "/> + <expand macro="advanced_options"> + <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> + <param name="param_algorithm_mrm" display="radio" type="boolean" truevalue="-algorithm:mrm" falsevalue="" checked="false" optional="True" label="this option should be used if the features correspond mrm chromatograms (additionally the precursor is taken into account)" help="(-mrm) "/> + </expand> + </inputs> + <outputs> + <data name="param_out" format="consensusxml"/> + </outputs> + <help>Groups corresponding isotope-labeled features in a feature map. + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureLinkerLabeled.html</help> +</tool>