comparison template_parmconv.j2 @ 3:2b82fc7bec67 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit cc13bd32ef2d80b01dc197a3ca120a4ff9f0dacc"
author chemteam
date Fri, 12 Mar 2021 12:32:24 +0000
parents 6c6cecf51bd0
children
comparison
equal deleted inserted replaced
2:b500cc25dd15 3:2b82fc7bec67
1 # Template for parmconv in Galaxy 1 # Template for parmconv in Galaxy
2 {% if fmt == 'AMBER' %} 2 {% if fmt == 'AMBER' %}
3 parm {{ top_in }} 3 parm {{ top_in }}
4 {% elif fmt == 'GROMACS' %} 4 {% elif fmt == 'GROMACS' %}
5 gromber {{ top_in }} {{gro_in}} 5 gromber {{ top_in }} {{str_in}}
6 {% elif fmt == 'CHARMM' %} 6 {% elif fmt == 'CHARMM' %}
7 chamber {{ top_in }} {{gro_in}} 7 chamber {{ top_in }} {{str_in}}
8 {% else %} 8 {% else %}
9 parm {{ top_in }} 9 parm {{ top_in }}
10 {% endif %} 10 {% endif %}
11 strip {{ stripmask }} 11 strip {{ stripmask }}
12 summary 12 summary