comparison sucos_max.xml @ 6:55ac04db36aa draft

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

5:d4c67ced6abc

<tool id="sucos_max_score" name="Max SuCOS score" version="0.2.3">
    <description>- determine maximum SuCOS score of ligands against clustered fragment hits</description>
    <macros>
        <import>sucos_macros.xml</import>
    </macros>
    <expand macro="requirements"/>
    <command detect_errors="exit_code"><![CDATA[
        python '$__tool_directory__/sucos_max.py'
            -i '$input'

            <param name="filter_value" value="15"/>
            <output name="output" ftype="sdf">
                <assert_contents>
                    <has_text text="Max_SuCOS_Score" />
                    <has_text text="Cum_SuCOS_Score" />
                    <has_n_lines n="686" />
                </assert_contents>
            </output>
        </test>
    </tests>
    <help><![CDATA[

6:55ac04db36aa

<tool id="sucos_max_score" name="Max SuCOS score" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
    <description>- determine maximum SuCOS score of ligands against clustered fragment hits</description>
    <macros>
        <import>sucos_macros.xml</import>
        <token name="@GALAXY_VERSION@">0</token>
    </macros>
    <expand macro="requirements"/>
    <command detect_errors="exit_code"><![CDATA[
        python '$__tool_directory__/sucos_max.py'
            -i '$input'

            <param name="filter_value" value="15"/>
            <output name="output" ftype="sdf">
                <assert_contents>
                    <has_text text="Max_SuCOS_Score" />
                    <has_text text="Cum_SuCOS_Score" />
                    <has_n_lines n="463" />
                </assert_contents>
            </output>
        </test>
    </tests>
    <help><![CDATA[