Mercurial > repos > chemteam > tleap
comparison template_parmconv.j2 @ 0:3de1359b86cc draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
| author | chemteam |
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| date | Thu, 27 Jan 2022 17:17:54 +0000 |
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| -1:000000000000 | 0:3de1359b86cc |
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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 }} {{str_in}} | |
| 6 {% elif fmt == 'CHARMM' %} | |
| 7 chamber {{ top_in }} {{str_in}} | |
| 8 {% else %} | |
| 9 parm {{ top_in }} | |
| 10 {% endif %} | |
| 11 strip {{ stripmask }} | |
| 12 summary | |
| 13 outparm {{ prmtop_out }} | |
| 14 quit |