3D Atomic Data Processing
Project description
Processing of 3D atomic data.
Installation
$ pip install atom3Usage
Process a PDB file to a pickled pandas dataframe.
$ atom3 parse sample/11as.pdb1.gz sample/parsedDerive subunits of a parsed dataframe.
$ atom3 complex sample/parsed sample/complexes.dillSplit subunits into interacting pairs.
$ atom3 pairs sample/complexes.dill sample/pairsFor help on commands.
$ atom3 -h
$ atom3 parse -h
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