view template_parmconv.j2 @ 1:5b4ae74b7f0b draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
author chemteam
date Thu, 27 Jan 2022 17:19:05 +0000
parents 79c856227ff1
children
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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