Mercurial > repos > chemteam > ambertools_acpype
comparison template_parmconv.j2 @ 7:c8cdde00b105 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit cc13bd32ef2d80b01dc197a3ca120a4ff9f0dacc"
| author | chemteam |
|---|---|
| date | Fri, 12 Mar 2021 12:33:25 +0000 |
| parents | f4230f116196 |
| children |
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| 6:2417677038b2 | 7:c8cdde00b105 |
|---|---|
| 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 |