diff galaxy_stubs/CalculateBindingFreeEnergy.xml @ 2:605370bc1def draft default tip

Uploaded

--- /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="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="first input pdb file" help="(-pdb_a) "/>
+    <param name="param_pdb_b" type="data" format="pdb" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" 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>