On 11/17/2015 01:14 PM, Alexandre Fassio wrote: > I've tried to use the mmCIF but I wasn't able to convert a ligand in the > mmCIF format to MOL2 by using Open Babel. > > For some reason that I don't know, I always got the message "0 molecules > converted".
Like I said, I don't know of any software that will do what you want. In 5A05.cif the first row of _struc_conn table is covale1 covale ? H GLC . C1 ? ? ? 1_555 H BGC . O4 ... which I believe means there's a covalent bond between GLC C1 and BGC O4. ICBW, -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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