-
Notifications
You must be signed in to change notification settings - Fork 3
Mosaic Python library
License
mosaic-data-model/mosaic-python
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
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