atom3-py3
Processing of 3D atomic data (Python 3 version).
Installation
.. code-block:: console
$ pip3 install atom3-py3
Usage
Process a PDB file to a pickled pandas dataframe.
.. code-block:: console
$ atom3 parse sample/11as.pdb1.gz sample/parsed
Derive subunits of a parsed dataframe.
.. code-block:: console
$ atom3 complex sample/parsed sample/complexes.dill
Split subunits into interacting pairs.
.. code-block:: console
$ atom3 pairs sample/complexes.dill sample/pairs
For help on commands.
.. code-block:: console
$ atom3 -h
$ atom3 parse -h