[phenixbb] ligand cif file

ChenTiantian chentiantian2010 at gmail.com
Fri May 27 18:12:06 PDT 2011

Hi there,
Now I use phenix.elbow to produce the cif file of the ligand instead of
using Prodrg.
but I find a problem with this cif file, the C=N bond is not right, it
becomes C-N in the
cif file, so it does not fit the electron density, what should I do to
modify the cif file to
chage C-N to C=N ?

Best Regards,


Drug Discovery and Design Center,
Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Address: Room 101, 646 Songtao Road, Zhangjiang Hi-Tech Park,
Pudong New Area, Shanghai, 201203, P.R. China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20110528/add8b8d1/attachment-0001.htm>

More information about the phenixbb mailing list