Mercurial > repos > galaxy-australia > alphafold2
changeset 22:3f188450ca4f draft default tip
planemo upload for repository https://github.com/usegalaxy-au/tools-au commit d626bb28203543a70d3fc60d662cb054bc3cef7c
author | galaxy-australia |
---|---|
date | Wed, 30 Oct 2024 21:46:34 +0000 (6 weeks ago) |
parents | e7f1b552a695 |
children | |
files | alphafold.xml scripts/outputs.py |
diffstat | 2 files changed, 8 insertions(+), 7 deletions(-) [+] |
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--- a/alphafold.xml Tue Oct 29 02:15:36 2024 +0000 +++ b/alphafold.xml Wed Oct 30 21:46:34 2024 +0000 @@ -3,7 +3,7 @@ <macros> <token name="@TOOL_VERSION@">2.3.2</token> <token name="@TOOL_MINOR_VERSION@">2.3</token> - <token name="@VERSION_SUFFIX@">1</token> + <token name="@VERSION_SUFFIX@">2</token> <import>macro_output.xml</import> <import>macro_test_output.xml</import> </macros>
--- a/scripts/outputs.py Tue Oct 29 02:15:36 2024 +0000 +++ b/scripts/outputs.py Wed Oct 30 21:46:34 2024 +0000 @@ -113,12 +113,13 @@ def _sniff_model_preset(self) -> bool: """Check if the run was multimer or monomer.""" - with open(self.workdir / 'relax_metrics.json') as f: - if '_multimer_' in f.read(): - return PRESETS.multimer - if '_ptm_' in f.read(): - return PRESETS.monomer_ptm - return PRESETS.monomer + for path in self.workdir.glob('*.pkl'): + if 'feature' not in path.name: + if '_multimer_' in path.name: + return PRESETS.multimer + if '_ptm_' in path.name: + return PRESETS.monomer_ptm + return PRESETS.monomer class ExecutionContext: