3D-e-Chem/kripodb: v2.1.0

Library to interact with Kripo fragment, fingerprint and similarity data files.

KRIPO stands for Key Representation of Interaction in POckets, see reference for more information.

Added

• Webservice endpoint to render 2D fragment in SVG
• Published documentation on http://kripodb.readthedocs.io
• Documented update pipeline
• Documented command line interface in Sphinx
• Retrieve fragments from webservice based on fragment id and pdb code (#35)

Changed

• merge similarity pairs files in chunks instead of loading whole source file in memory
• canned fragmentsby* methods can use local file or webservice
• error when duplicate fragment insert is performed
• Renamed kripodb similarities serve to kripodb serve, as it now also serves the fragments
• Switched from nosetest to py.test (#36)