Mercurial > repos > chemteam > packmol

diff template.j2 @ 2:9d1e7348f7a8 draft default tip

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author chemteam
date Mon, 07 Oct 2019 12:35:00 -0400
parents 9a9768ad0f81
children
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--- a/template.j2	Fri Aug 30 14:56:34 2019 -0400
+++ b/template.j2	Mon Oct 07 12:35:00 2019 -0400
@@ -5,10 +5,10 @@
 nloop  {{ allparams.nloop }} 
 maxit  {{ allparams.maxit }} 
 seed  {{ allparams.seed }} 
-filetype {{packmol_format.selected_format}} 
+filetype pdb 
 output {{outfile}}
 
-{% for struct in packmol_format.packmol_inputs %}
+{% for struct in packmol_inputs %}
 structure {{struct.file}}
 # Galaxy datasetname - {{struct.datasetname}}
   number {{struct.structureparams.number}}