Mercurial > repos > chemteam > parmconv
view template_parmconv.j2 @ 0:6c6cecf51bd0 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3664d8011044773cc3250ce15d712d97b0b91373"
author | chemteam |
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date | Tue, 07 Apr 2020 08:07:39 -0400 |
parents | |
children | 2b82fc7bec67 |
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# Template for parmconv in Galaxy {% if fmt == 'AMBER' %} parm {{ top_in }} {% elif fmt == 'GROMACS' %} gromber {{ top_in }} {{gro_in}} {% elif fmt == 'CHARMM' %} chamber {{ top_in }} {{gro_in}} {% else %} parm {{ top_in }} {% endif %} strip {{ stripmask }} summary outparm {{ prmtop_out }} quit