MOlecular SimulAtion Interchange Conventions
Project description
Mosaic is a modular data model for molecular simulation applications.
The Mosaic Python library provides an in-memory representation of Mosaic data items plus input/output in HDF5 and XML formats. A command-line tool provides conversion between the HDF5 and XML representations as well as data import from the Protein Data Bank (PDB).
For the definition of the Mosaic data model, and a description of the Python API, see the documentation in the directory ‘doc’.
The Mosaic Python library requires Python 2.7 or Python 3.2 or 3.3 plus the following libraries:
NumPy 1.6 or later (http://numpy.scipy.org/)
HDF5 1.8.7 or later (http://www.hdfgroup.org/HDF5/)
h5py 2.1 or later (http://www.h5py.org/)
ImmutablePy 0.1 (http://bitbucket.org/khinsen/immutablepy/)
Runnning the tests:
python setup.py test
Installation:
python setup.py install
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