Mercurial > repos > luis > ball
diff galaxy_stubs/PoseIndices2PDB.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/PoseIndices2PDB.xml Tue Jul 12 12:33:33 2016 -0400 @@ -0,0 +1,68 @@ +<?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="PoseIndices2PDB" name="PoseIndices2PDB" version="1.1.0"> + <description>converts pose indices into PDB files </description> + <macros> + <token name="@EXECUTABLE@">PoseIndices2PDB</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>PoseIndices2PDB + +#if $param_i_clust: + -i_clust $param_i_clust +#end if +#if $param_i_trans: + -i_trans $param_i_trans +#end if +#if $param_i_pdb: + -i_pdb $param_i_pdb +#end if +#if $param_o: + -o $param_o +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_o_id: + -o_id "$adv_opts.param_o_id" +#end if + #if $adv_opts.param_o_dir: + -o_dir "$adv_opts.param_o_dir" +#end if +#end if +</command> + <inputs> + <param name="param_i_clust" type="data" format="txt" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input cluster index file" help="(-i_clust) "/> + <param name="param_i_trans" type="data" format="dcd" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input tranformation file" help="(-i_trans) "/> + <param name="param_i_pdb" type="data" format="pdb" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input reference pdb file" help="(-i_pdb) "/> + <expand macro="advanced_options"> + <param name="param_o_id" type="text" size="30" value="$o.id" label="output file name prefix for 2nd to last pdb file" help="(-o_id) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_o_dir" type="text" size="30" value="$__new_file_path__" label="output directory for 2nd to last pdb file" help="(-o_dir) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + </expand> + </inputs> + <outputs> + <data name="param_o" format="pdb"/> + </outputs> + <help>This tool converts all pose indices from a given transformation file and the corresponding reference PDBFile into separate PDBFiles. + +Parameters are the input pose index file (-i_clust), the original transformation file (-i_trans), the corresponding reference pdb file (-i_pdb) and a naming schema for the resulting pdb files (-o). + +Output of this tool is a set of PDBFiles representing the docking poses belonging to the given input cluster. + +</help> +</tool>