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1 <?xml version='1.0' encoding='UTF-8'?>
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2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
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3 <!--Proposed Tool Section: [Preparation]-->
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4 <tool id="PeptideBuilder" name="PeptideBuilder" version="1.1.0">
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5 <description>build a peptide </description>
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6 <macros>
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7 <token name="@EXECUTABLE@">PeptideBuilder</token>
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8 <import>macros.xml</import>
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9 </macros>
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10 <expand macro="stdio"/>
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11 <expand macro="requirements"/>
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12 <command>PeptideBuilder
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13
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14 #if $param_i:
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15 -i $param_i
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16 #end if
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17 #if $param_o:
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18 -o $param_o
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19 #end if
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20 </command>
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21 <inputs>
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22 <param name="param_i" type="data" format="txt" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input torsion-file" help="(-i) "/>
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23 </inputs>
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24 <expand macro="advanced_options"/>
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25 <outputs>
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26 <data name="param_o" format="pdb"/>
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27 </outputs>
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28 <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.
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29
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30 Example:
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31
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32 # aa phi psi omega
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33
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34 A -180 140
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35
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36 C -180 180
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37
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38 G -90 -140
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39
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40 P -65 -40 0 # cis
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41
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42 T -120 -90
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43
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44 P -78 146 180 # trans
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45
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46 </help>
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47 </tool>
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