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

DeepRank / pdb2sql

Fast and versatile biomolecular structure PDB file parser using SQL queries

https://pdb2sql.readthedocs.io

Apache License 2.0

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superpose() does not work when chain IDs are different and the residue numbering are different #88

Open LilySnow opened 2 months ago

LilySnow commented 2 months ago

superpose() requires target and ref have the same chain IDs and the same residue numbering. It would be great if superpose() can allow the users to specify chain IDs and residue ranges for target and ref separately.