Mercurial > repos > chemteam > parmconv
comparison template_parmconv.j2 @ 0:6c6cecf51bd0 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3664d8011044773cc3250ce15d712d97b0b91373"
| author | chemteam |
|---|---|
| date | Tue, 07 Apr 2020 08:07:39 -0400 |
| parents | |
| children | 2b82fc7bec67 |
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| -1:000000000000 | 0:6c6cecf51bd0 |
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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 |