view galaxy_stubs/Trajectory2RigidTransformation.xml @ 2:605370bc1def draft default tip

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<?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="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="input trajectory file" help="(-i_dcd) "/>
    <param name="param_i_pdb" type="data" format="pdb" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" 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>