Mercurial > repos > chemteam > biomd_extract_clusters

comparison get_clusters.xml @ 2:e0ecaf2d05fb draft default tip

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:39:27 +0000
parents ad49025ba90d
children
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1:078dfd7fb26d 2:e0ecaf2d05fb
1 <tool id="biomd_extract_clusters" name="Extract clusters of MD trajectories" version="0.@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> 1 <tool id="biomd_extract_clusters" name="Extract clusters of MD trajectories" version="0.@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>from linkage matrix data</description> 2 <description>from linkage matrix data</description>
3 <macros> 3 <macros>
4 <token name="@TOOL_VERSION@">1.5.2</token> 4 <token name="@TOOL_VERSION@">1.5.2</token>
5 <token name="@GALAXY_VERSION@">0</token> 5 <token name="@GALAXY_VERSION@">1</token>
6 </macros> 6 </macros>
7 <requirements> 7 <requirements>
8 <requirement type="package" version="@TOOL_VERSION@">scipy</requirement> 8 <requirement type="package" version="@TOOL_VERSION@">scipy</requirement>
9 <requirement type="package" version="1.19.1">numpy</requirement> 9 <requirement type="package" version="1.19.1">numpy</requirement>
10 <requirement type="package" version="3.3.1">matplotlib</requirement> 10 <requirement type="package" version="3.3.1">matplotlib</requirement>
16 --min-members '$min_members' 16 --min-members '$min_members'
17 --output '$output' 17 --output '$output'
18 ]]></command> 18 ]]></command>
19 <inputs> 19 <inputs>
20 <param label="Clustering linkage array" format="tabular" type="data" name="Z" argument="--Z"/> 20 <param label="Clustering linkage array" format="tabular" type="data" name="Z" argument="--Z"/>
21 <param label="Distance cutoff" value="0" type="integer" name="threshold" argument="--threshold"/> 21 <param label="Distance cutoff" value="0" type="float" name="threshold" argument="--threshold"/>
22 <param label="Minimum number of members of the cluster" value="0" type="integer" name="min_members" argument="--min-members"/> 22 <param label="Minimum number of members of the cluster" value="0" type="integer" name="min_members" argument="--min-members"/>
23 </inputs> 23 </inputs>
24 <outputs> 24 <outputs>
25 <data label="Cluster members (JSON)" format="json" name="output"/> 25 <data label="Cluster members (JSON)" format="json" name="output"/>
26 </outputs> 26 </outputs>