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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="EvenSplit" name="EvenSplit" version="1.1.0">
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5 <description>generate splits w/ equal property range</description>
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6 <macros>
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7 <token name="@EXECUTABLE@">EvenSplit</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>EvenSplit
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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_o1:
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18 -o1 $param_o1
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19 #end if
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20 #if $param_o2:
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21 -o2 $param_o2
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22 #end if
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23 #if $param_prop:
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24 -prop "$param_prop"
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25 #end if
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26 #if $param_n:
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27 -n $param_n
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28 #end if
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29 #if $param_k:
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30 -k $param_k
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31 #end if
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32 #if $param_offset:
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33 -offset $param_offset
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34 #end if
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35 </command>
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36 <inputs>
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37 <param name="param_i" type="data" format="mol2,sdf,drf" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input file" help="(-i) "/>
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38 <param name="param_prop" type="text" size="30" value="binding_free_energy" label="property name" help="(-prop) ">
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39 <sanitizer>
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40 <valid initial="string.printable">
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41 <remove value="'"/>
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42 <remove value="""/>
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43 </valid>
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44 </sanitizer>
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45 </param>
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46 <param name="param_n" type="integer" value="0" label="max. number of compounds to use from input file" help="(-n) "/>
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47 <param name="param_k" type="integer" value="2" label="extract each k'th compound to 2nd output file" help="(-k) "/>
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48 <param name="param_offset" type="integer" value="0" label="offset; extract each (i+offset)%k == 0 to 2nd output file" help="(-offset) "/>
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49 </inputs>
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50 <expand macro="advanced_options"/>
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51 <outputs>
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52 <data name="param_o1" metadata_source="param_i" format="input"/>
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53 <data name="param_o2" metadata_source="param_i" format="input"/>
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54 </outputs>
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55 <help>This tool splits a molecule file into two subsets in such a way that each of them convers an equal range of a property. The property with respect to which this is to be done should be specified with '-prop'.
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56
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57 </help>
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58 </tool>
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