Hi,
a while back, I've opened a bug in the mmCIF parser, which seems to
systematically fail parsing elements with two letter symbols (i.e., Fe, Mg,
Cl...):
https://github.com/openbabel/openbabel/issues/2294
I looked at the code of the parser thinking that the bug was easy to fix and I
could quickly find the cause of the issue. Alas, I didn't find anything
obvious, so I'm wondering if anyone has suggestions about it.
Thanks!
S
--
Stefano Forli, PhD
Assistant Professor
Dept. of Integrative Structural
and Computational Biology, MB-112A
Scripps Research
10550 North Torrey Pines Road
La Jolla, CA 92037-1000, USA.
tel: +1 (858)784-2055
email: fo...@scripps.edu
https://forlilab.org
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