LePingKYXK / PDB_cleaner

A Python 3 script for cleaning up the PDB file

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Open LePingKYXK opened 6 years ago

LePingKYXK commented 6 years ago

WANTED: dealing with NMR case block by block in the PDB files.

[x] rearrange the PDB_cleaner script
[x] read NMR PDB file model by model and set the model numbers as indices
[ ] deal with each item (as in the x-ray PDB file) in each model (maybe use pandas groupby)

LePingKYXK commented 6 years ago

Improvement. Implemented read NMR models as indices. A good beginning.