Mercurial > repos > luis > ball
diff galaxy_stubs/CalculateBindingFreeEnergy.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/CalculateBindingFreeEnergy.xml Tue Jul 12 12:33:33 2016 -0400 @@ -0,0 +1,32 @@ +<?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: [ForceFields]--> +<tool id="CalculateBindingFreeEnergy" name="CalculateBindingFreeEnergy" version="1.1.0"> + <description>calculate binding energy of two proteins using AMBER</description> + <macros> + <token name="@EXECUTABLE@">CalculateBindingFreeEnergy</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>CalculateBindingFreeEnergy + +#if $param_pdb_a: + -pdb_a $param_pdb_a +#end if +#if $param_pdb_b: + -pdb_b $param_pdb_b +#end if +</command> + <inputs> + <param name="param_pdb_a" type="data" format="pdb" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="first input pdb file" help="(-pdb_a) "/> + <param name="param_pdb_b" type="data" format="pdb" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="second input pdb file" help="(-pdb_b) "/> + </inputs> + <expand macro="advanced_options"/> + <outputs> + <data name="param_stdout" format="text" label="Output from stdout"/> + </outputs> + <help>This tool computes the binding energy of two given pdb files using the AMBER force field. + +</help> +</tool>