pandegroup/openmm — pull request #702 by peastman (2014-11-05 20:35:06+00:00)
Title: Created reader for PDBx/mmCIF files

This should be viewed as very preliminary. The data model is complex and not documented in a way that makes it easy to understand. This seems to work on a handful of files that I've tested, but it needs a lot more testing.

I'm a little torn about whether to include this in 6.2. It would be really nice to have it, but it would need a lot of testing during the beta period. Any thoughts?