mmCIF input
harryjubb opened this issue · 2 comments
harryjubb commented
Allow mmCIF files to be used as input.
it should be a case of changing a few places of in the code where ‘.pdb’ is hard-coded as the extension, to output the correct extension. A command line flag (and/or file extension detection) will probably have to be added to say which type of file is being processed and therefore use the right parsers.
harryjubb commented
Additions made in e19dd18 but issue with mmCIF atom serial parsing (biopython/biopython#1206 prevents further testing for now.
harryjubb commented
The PDBe fork now covers using mmCIF: https://github.com/PDBeurope/arpeggio