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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="PropertyModifier" name="PropertyModifier" version="1.1.0">
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5 <description>modify molecule property tags</description>
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6 <macros>
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7 <token name="@EXECUTABLE@">PropertyModifier</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>PropertyModifier
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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 #if $param_mode:
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21 -mode
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22 #if " " in str($param_mode):
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23 "$param_mode"
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24 #else
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25 $param_mode
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26 #end if
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27 #end if
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28 #if $param_name:
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29 -name "$param_name"
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30 #end if
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31 #if $param_value:
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32 -value "$param_value"
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33 #end if
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34 #if $param_new_name:
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35 -new_name "$param_new_name"
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36 #end if
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37 #if $param_rm:
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38 -rm $param_rm
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39 #end if
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40 </command>
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41 <inputs>
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42 <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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43 <param name="param_mode" type="select" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="'delete', 'add' or 'rename' properties" help="(-mode) ">
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44 <option value="add">add</option>
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45 <option value=" rename"> rename</option>
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46 <option value=" delete"> delete</option>
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47 </param>
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48 <param name="param_name" type="text" size="30" value="<class 'CTDopts.CTDopts._Null'>" label="property name ('all' will erase all properties if in delete-mode)" help="(-name) ">
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49 <sanitizer>
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50 <valid initial="string.printable">
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51 <remove value="'"/>
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52 <remove value="""/>
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53 </valid>
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54 </sanitizer>
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55 </param>
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56 <param name="param_value" type="text" size="30" value="<class 'CTDopts.CTDopts._Null'>" label="property value (in case of prop. adding only)" help="(-value) ">
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57 <sanitizer>
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58 <valid initial="string.printable">
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59 <remove value="'"/>
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60 <remove value="""/>
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61 </valid>
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62 </sanitizer>
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63 </param>
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64 <param name="param_new_name" type="text" size="30" value="<class 'CTDopts.CTDopts._Null'>" label="new property name (in case of renaming only)" help="(-new_name) ">
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65 <sanitizer>
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66 <valid initial="string.printable">
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67 <remove value="'"/>
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68 <remove value="""/>
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69 </valid>
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70 </sanitizer>
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71 </param>
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72 <param name="param_rm" type="integer" min="0" max="1" optional="True" value="0" label="remove input file when finished" help="(-rm) "/>
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73 </inputs>
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74 <expand macro="advanced_options"/>
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75 <outputs>
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76 <data name="param_o" metadata_source="param_i" format="input"/>
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77 </outputs>
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78 <help>With this tools you can add, rename or delete molecule property tags.
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79 These tags can for example contain information about scores, binding-free-energy, IDs or names for the resp. molecule.
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80 The output of this tool is a molecule file in which the desired property tags have been added/renamed/deleted (as chosen).
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81
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82 </help>
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83 </tool>
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