#147 mmCIF lacks support for chemical components

open
nobody
None
5
2012-10-23
2009-07-28
Noel O'Boyle
No

The PDB provides information on small molecules as chemical components in the mmCIF format (see http://mmcif.rcsb.org/mmcif-early/workshop/mmCIF-tutorials/intro/comp.htm). However, these do not appear to be read by OpenBabel. When the chemical components mmCIF is downloaded from http://www.wwpdb.org/ccd.html, no molecule is read in.

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