Re: [OpenBabel-Devel] CIF vs mmCIF Parsing

2014-08-21 Thread Patrick Fuller
> Since you and others work wit CIFs more than myself, perhaps you’d be willing to take up some “maintenance” of MMCIF? I can also ask Chris Wilmer now that he’s here at Pitt and may have some ideas. I'm willing to help here. A better cif parser means less dropping down to mercury / materials stud

Re: [OpenBabel-Devel] CIF vs mmCIF Parsing

2014-08-21 Thread Geoffrey Hutchison
> Outside of two small hiccups (one pull request here, another to come), it > works amazingly well. Reading through the source explains this to an extent, > as it looks like the mmcif ReadMolecule is more built up than the cif analog. > A folder of random cifs is not a thorough test, so I was won