Mercurial > repos > chemteam > ambertools_antechamber
comparison template_parmconv.j2 @ 5:1d651e583c9c draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3664d8011044773cc3250ce15d712d97b0b91373"
| author | chemteam |
|---|---|
| date | Tue, 07 Apr 2020 11:53:24 +0000 |
| parents | |
| children |
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| 4:ff0fdd6dd227 | 5:1d651e583c9c |
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| 1 # Template for parmconv in Galaxy | |
| 2 {% if fmt == 'AMBER' %} | |
| 3 parm {{ top_in }} | |
| 4 {% elif fmt == 'GROMACS' %} | |
| 5 gromber {{ top_in }} {{gro_in}} | |
| 6 {% elif fmt == 'CHARMM' %} | |
| 7 chamber {{ top_in }} {{gro_in}} | |
| 8 {% else %} | |
| 9 parm {{ top_in }} | |
| 10 {% endif %} | |
| 11 strip {{ stripmask }} | |
| 12 summary | |
| 13 outparm {{ prmtop_out }} | |
| 14 quit |