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atom3-py3

3D Atomic Data Processing (Python 3 version)

  • 0.2.1
  • PyPI
  • Socket score

Maintainers
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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

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