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view template_parmconv.j2 @ 11:26876112c25b draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7583aecdb001e76ca6ddf440f60de4c534f61c66"
author chemteam
date Mon, 20 Sep 2021 09:47:50 +0000
parents 7afe7044a2aa
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# Template for parmconv in Galaxy
{% if fmt == 'AMBER' %}
parm {{ top_in }}
{% elif fmt == 'GROMACS' %}
gromber {{ top_in }} {{str_in}}
{% elif fmt == 'CHARMM' %}
chamber {{ top_in }} {{str_in}}
{% else %}
parm {{ top_in }}
{% endif %}
strip {{ stripmask }}
summary
outparm {{ prmtop_out }}
quit