Hi Francis,
to keep the CONECT record you can use
(http://biop.ox.ac.uk/coot/doc/coot/set_002dwrite_002dconect_002drecord_002dstate.html):
set_write_conect_record_state(1)
default is 0 (off). However, this will just preserve the CONECT records
read but doesnt do any cleverness in case you change things!!!!
B
It seems that converting a small molecule refined (shelx) with
openbabel to pdb results in a slew of CONECT records which Coot
doesn't recognize. As a result I've got a bunch of unbonded atoms for
my ligand. Anyone have a solution/workaround?
Thanks! F
--------------------------------------------- Francis E. Reyes M.Sc.
215 UCB University of Colorado at Boulder
--
***************************************************
Dr. Bernhard Lohkamp
Assistant Professor
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487651
fax: (+46) 08-327626
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