Mercurial > repos > luis > ball
diff galaxy_stubs/Trajectory2RigidTransformation.xml @ 2:605370bc1def draft default tip
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author | luis |
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date | Tue, 12 Jul 2016 12:33:33 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/galaxy_stubs/Trajectory2RigidTransformation.xml Tue Jul 12 12:33:33 2016 -0400 @@ -0,0 +1,39 @@ +<?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: [Convert, combine and store]--> +<tool id="Trajectory2RigidTransformation" name="Trajectory2RigidTransformation" version="1.1.0"> + <description>converts a trajectory file into a rigid transformation file </description> + <macros> + <token name="@EXECUTABLE@">Trajectory2RigidTransformation</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>Trajectory2RigidTransformation + +#if $param_i_dcd: + -i_dcd $param_i_dcd +#end if +#if $param_i_pdb: + -i_pdb $param_i_pdb +#end if +#if $param_o: + -o $param_o +#end if +</command> + <inputs> + <param name="param_i_dcd" type="data" format="dcd" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input trajectory file" help="(-i_dcd) "/> + <param name="param_i_pdb" type="data" format="pdb" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input pdb-file" help="(-i_pdb) "/> + </inputs> + <expand macro="advanced_options"/> + <outputs> + <data name="param_o" format="txt"/> + </outputs> + <help>This tool converts SnapShots of a given TrajectoryFile and the reference PDBFile into a rigid transformation file. + +Parameters are the input SnapShots as TrajectoryFile (-i_dcd), the corresponding reference pdb file that was originally used to create the TrajectoryFile (-i_pdb) and a naming schema for the resulting transformation file (-o). + +Output of this tool is a file storing each given SnapShot as rigid transformation per line. + +</help> +</tool>