search

DeepRank / pdb2sql

Fast and versatile biomolecular structure PDB file parser using SQL queries
https://pdb2sql.readthedocs.io
Apache License 2.0
24 stars 12 forks source link

Fix lrmsd #82

Closed NicoRenaud closed 1 year ago

NicoRenaud commented 2 years ago

There was an issue in compute_lrmsd_pdb2sql as we were not necessarily selecting the correct atoms when the ref and decoys have different residues. That PR should fix that

github-actions[bot] commented 2 years ago

This PR is stale because it has been open for 14 days with no activity. Remove stale label or comment or this will be closed in 7 days.

github-actions[bot] commented 2 years ago

This PR is stale because it has been open for 14 days with no activity. Remove stale label or comment or this will be closed in 7 days.

github-actions[bot] commented 2 years ago

This PR was closed because it has been inactive for 7 days since being marked as stale.