view galaxy_stubs/PeptideBuilder.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: [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>