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

returns class instance #41

Closed NicoRenaud closed 4 years ago

NicoRenaud commented 4 years ago

I found a bit anti-Pythonic that none of the methods of the pdb2sql core class return an instance of the same class. The return value is always a list, and this hinders functionalities like the following: pdb_db.get('*', resSeq=['1']).pprint()