Mercurial > repos > chemteam > parmconv

comparison parmconv.xml @ 4:267a70416daf draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit fe0c452249565047df8ac0a6f5956fe8ea0cd60d"
author chemteam
date Wed, 09 Jun 2021 09:53:48 +0000
parents 2b82fc7bec67
children 5a97cb53a456
comparison
equal deleted inserted replaced
3:2b82fc7bec67 4:267a70416daf
1 <tool id="parmconv" name="Convert Parameters" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> 1 <tool id="parmconv" name="Convert Parameters" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>to AMBER prmtop in preparation for MMGBSA/MMPBSA</description> 2 <description>to AMBER prmtop in preparation for MMGBSA/MMPBSA</description>
3 <macros> 3 <macros>
4 <import>macros.xml</import> 4 <import>macros.xml</import>
5 <token name="@GALAXY_VERSION@">1</token> 5 <token name="@GALAXY_VERSION@">0</token>
6 </macros> 6 </macros>
7 <expand macro="requirements"> 7 <expand macro="requirements">
8 <requirement type="package" version="3.2.0">parmed</requirement> 8 <requirement type="package" version="3.4.1">parmed</requirement>
9 <requirement type="package" version="2020.4">gromacs</requirement> 9 <requirement type="package" version="2021.1">gromacs</requirement>
10 <requirement type="package" version="2.11.2">jinja2</requirement> 10 <requirement type="package" version="3.0.1">jinja2</requirement>
11 </expand> 11 </expand>
12 <command detect_errors="exit_code"> 12 <command detect_errors="exit_code">
13 <![CDATA[ 13 <![CDATA[
14 #if $param_inputs.fmt == "GROMACS": 14 #if $param_inputs.fmt == "GROMACS":
15 python '$__tool_directory__/parmconv.py' 15 python '$__tool_directory__/parmconv.py'