Mercurial > repos > bgruening > rxdock_rbcavity

comparison rbcavity.xml @ 1:583dcdbdbf42 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
author bgruening
date Sat, 25 Apr 2020 08:58:47 -0400
parents e99f861ba68a
children 7fac8e7a12d5
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0:e99f861ba68a 1:583dcdbdbf42
1 <tool id="rxdock_rbcavity" name="rxDock cavity definition" version="0.1"> 1 <tool id="rxdock_rbcavity" name="rxDock cavity definition" version="0.1">
2 <description>- generate the active site definition needed for rxDock docking</description> 2 <description>- generate the active site definition needed for rxDock docking</description>
3 <macros> 3 <macros>
4 <import>rdock_macros.xml</import> 4 <import>rxdock_macros.xml</import>
5 </macros> 5 </macros>
6 <expand macro="requirements"/> 6 <expand macro="requirements"/>
7 <command><![CDATA[ 7 <command><![CDATA[
8 ln -s '$receptor_prm' receptor.prm && 8 ln -s '$receptor_prm' receptor.prm &&
9 ln -s '$receptor' receptor.mol2 && 9 ln -s '$receptor' receptor.mol2 &&