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

Uploaded

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/galaxy_stubs/PeptideBuilder.xml	Tue Jul 12 12:33:33 2016 -0400
@@ -0,0 +1,47 @@
+<?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: [Preparation]-->
+<tool id="PeptideBuilder" name="PeptideBuilder" version="1.1.0">
+  <description>build a peptide  </description>
+  <macros>
+    <token name="@EXECUTABLE@">PeptideBuilder</token>
+    <import>macros.xml</import>
+  </macros>
+  <expand macro="stdio"/>
+  <expand macro="requirements"/>
+  <command>PeptideBuilder
+
+#if $param_i:
+  -i $param_i
+#end if
+#if $param_o:
+  -o $param_o
+#end if
+</command>
+  <inputs>
+    <param name="param_i" type="data" format="txt" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="input torsion-file" help="(-i) "/>
+  </inputs>
+  <expand macro="advanced_options"/>
+  <outputs>
+    <data name="param_o" format="pdb"/>
+  </outputs>
+  <help>This tool creates a peptide by a given torsion file. The amino acids shall be given in three letter code, the phi, psi, and omega angles shall be given in degree.
+
+Example:
+
+# aa   phi    psi   omega
+
+A    -180    140
+
+C    -180    180
+
+G    -90    -140
+
+P    -65    -40       0   # cis
+
+T    -120    -90
+
+P    -78     146     180  # trans
+
+</help>
+</tool>