Issues

• The script gets stuck at the compute_lrmsd_pdb2sql step

  DeepRank/pdb2sql#89 · Filter by author hanjialu0810 opened on May 24, 2025

• superpose() does not work when chain IDs are different and the residue numbering are different

  DeepRank/pdb2sql#88 · Filter by author LilySnow opened on Sep 13, 2024

• pdb2sql.transform.rot_mat does not allow to set center

  DeepRank/pdb2sql#87 · Filter by author LilySnow opened on Mar 20, 2023
  

• Refactor StructureSimilarity

  stale
  DeepRank/pdb2sql#86 · Filter by author NicoRenaud opened on Oct 3, 2022
  2

• compute_lrmsd_pdb2sql works only if there is no missing backbone atom

  stale
  DeepRank/pdb2sql#85 · Filter by author FarzanehParizi opened on Sep 30, 2022
  9

• add pdb matching function

  stale
  DeepRank/pdb2sql#84 · Filter by author LilySnow opened on Sep 27, 2022
  1

  

• pdb2sql selects one alternative location for atoms

  stale
  DeepRank/pdb2sql#83 · Filter by author FarzanehParizi opened on Sep 23, 2022
  3

• compute_irmsd_fast() only works on two chains

  DeepRank/pdb2sql#76 · Filter by author LilySnow opened on Jul 11, 2022
  6