comparison distance_finder.xml @ 2:4c9d6b47045c draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"

1:f0502d809c4b

<tool id="openbabel_structure_distance_finder" name="Determine distance to defined points" version="0.1.0">
    <description>- determine the minimum distances between a molecule and a set of 3D points</description>
    <macros>
        <import>macros.xml</import>
    </macros>
    <requirements>
        <!-- does not run with obabel 2.4.1 -->
        <requirement type="package" version="3.0.0">openbabel</requirement>
    </requirements>
    <command detect_errors="exit_code"><![CDATA[
        python '$__tool_directory__/distance_finder.py'
            -i '$input'
            -p $points_file
            -o '$output'

2:4c9d6b47045c

<tool id="openbabel_structure_distance_finder" name="Determine distance to defined points" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
    <description>- determine the minimum distances between a molecule and a set of 3D points</description>
    <macros>
        <import>macros.xml</import>
        <token name="@GALAXY_VERSION@">0</token>
    </macros>
    <expand macro="requirements"/>
    <command detect_errors="exit_code"><![CDATA[
        python '$__tool_directory__/distance_finder.py'
            -i '$input'
            -p $points_file
            -o '$output'