Mercurial > repos > chemteam > packmol
comparison template.j2 @ 2:539fb45630e6 draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
| author | chemteam |
|---|---|
| date | Mon, 07 Oct 2019 12:46:54 -0400 |
| parents | 0b8a0ce446f5 |
| children |
comparison
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| 1:ddb1ae2cf028 | 2:539fb45630e6 |
|---|---|
| 3 | 3 |
| 4 tolerance {{ allparams.tolerance }} | 4 tolerance {{ allparams.tolerance }} |
| 5 nloop {{ allparams.nloop }} | 5 nloop {{ allparams.nloop }} |
| 6 maxit {{ allparams.maxit }} | 6 maxit {{ allparams.maxit }} |
| 7 seed {{ allparams.seed }} | 7 seed {{ allparams.seed }} |
| 8 filetype {{packmol_format.selected_format}} | 8 filetype pdb |
| 9 output {{outfile}} | 9 output {{outfile}} |
| 10 | 10 |
| 11 {% for struct in packmol_format.packmol_inputs %} | 11 {% for struct in packmol_inputs %} |
| 12 structure {{struct.file}} | 12 structure {{struct.file}} |
| 13 # Galaxy datasetname - {{struct.datasetname}} | 13 # Galaxy datasetname - {{struct.datasetname}} |
| 14 number {{struct.structureparams.number}} | 14 number {{struct.structureparams.number}} |
| 15 radius {{struct.structureparams.radius}} | 15 radius {{struct.structureparams.radius}} |
| 16 resnumbers {{struct.structureparams.resnumbers}} | 16 resnumbers {{struct.structureparams.resnumbers}} |