volkamerlab / opencadd

A Python library for structural cheminformatics
https://opencadd.readthedocs.io
MIT License
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Update biopandas usage: Read pdb from list of strings #48

Open dominiquesydow opened 3 years ago

dominiquesydow commented 3 years ago

Code improvement in opencadd.io.dataframe:

Avoid to use the private PandasPdb method _construct_df. https://github.com/volkamerlab/opencadd/blob/912d4e98e89edf38707249fd4f034cea136e1932/opencadd/io/dataframe.py#L128

If possible in the future, use e.g.

ppdb = PandasPdb()
ppdb.read_pdb_from_list()  # New feature?

See feature request: https://github.com/rasbt/biopandas/issues/70

dominiquesydow commented 3 years ago

Wait for biopandas 0.3.0 release:

(see biopandas CHANGELOG)