Mercurial > repos > chemteam > mmpbsa_mmgbsa
comparison mmpbsa_mmgbsa.xml @ 5:2c62c4422f7a draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit fe0c452249565047df8ac0a6f5956fe8ea0cd60d"
| author | chemteam |
|---|---|
| date | Wed, 09 Jun 2021 09:54:35 +0000 |
| parents | 51023da731c0 |
| children |
comparison
equal
deleted
inserted
replaced
| 4:879662481176 | 5:2c62c4422f7a |
|---|---|
| 3 <macros> | 3 <macros> |
| 4 <import>macros.xml</import> | 4 <import>macros.xml</import> |
| 5 <token name="@GALAXY_VERSION@">0</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="2.11.2">jinja2</requirement> | 8 <requirement type="package" version="3.0.1">jinja2</requirement> |
| 9 </expand> | 9 </expand> |
| 10 <command detect_errors="exit_code"><![CDATA[ | 10 <command detect_errors="exit_code"><![CDATA[ |
| 11 python '$mmpbsa_script' '$inputs' && | 11 python '$mmpbsa_script' '$inputs' && |
| 12 PATH_TO_MMPBSA=\$(dirname `which MMPBSA.py`) && | 12 PATH_TO_MMPBSA=\$(dirname `which MMPBSA.py`) && |
| 13 export AMBERHOME=\$(dirname \$PATH_TO_MMPBSA) && | 13 export AMBERHOME=\$(dirname \$PATH_TO_MMPBSA) && |