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comparison sim.xml @ 5:171ce1253b19 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3786d1760d039118fa87c5df52d59eec0a5781a3"
author chemteam
date Fri, 10 Jan 2020 12:34:53 -0500
parents cdaed42b4223
children a97dcfc23b4b
comparison
equal deleted inserted replaced
4:cdaed42b4223 5:171ce1253b19
1 <tool id="gmx_sim" name="GROMACS simulation" version="@VERSION@"> 1 <tool id="gmx_sim" name="GROMACS simulation" version="@VERSION@.1">
2 <description>for system equilibration or data collection</description> 2 <description>for system equilibration or data collection</description>
3 <macros> 3 <macros>
4 <import>macros.xml</import> 4 <import>macros.xml</import>
5 </macros> 5 </macros>
6 <expand macro="requirements" /> 6 <expand macro="requirements" />
241 <filter>outps["cpt_out"] == 'true'</filter> 241 <filter>outps["cpt_out"] == 'true'</filter>
242 </data> 242 </data>
243 <data name="output6" format="edr" from_work_dir="outp.edr"> 243 <data name="output6" format="edr" from_work_dir="outp.edr">
244 <filter>outps["edr_out"] == 'true'</filter> 244 <filter>outps["edr_out"] == 'true'</filter>
245 </data> 245 </data>
246 <collection name="output7" type="list"> 246 <data name="output7" format="xvg" from_work_dir="outp_pullf.xvg">
247 <filter>outps["xvg_out"] == 'true'</filter>
248 </data>
249 <!-- <collection name="output7" type="list">
247 <discover_datasets pattern="(?P&lt;designation&gt;.*)\.xvg" visible="true" directory="." /> 250 <discover_datasets pattern="(?P&lt;designation&gt;.*)\.xvg" visible="true" directory="." />
248 <filter>outps["xvg_out"] == 'true'</filter> 251 <filter>outps["xvg_out"] == 'true'</filter>
249 </collection> 252 </collection> -->
250 <data name="output8" format="binary" from_work_dir="outp.tpr"> 253 <data name="output8" format="binary" from_work_dir="outp.tpr">
251 <filter>outps["tpr_out"] == 'true'</filter> 254 <filter>outps["tpr_out"] == 'true'</filter>
252 </data> 255 </data>
253 256
254 <expand macro="log_outputs" /> 257 <expand macro="log_outputs" />