[phenixbb] ligand cif file
Thomas C. Terwilliger
terwilliger at lanl.gov
Fri May 27 19:13:36 PDT 2011
I think that if you use the GUI you can click on "Reel" and you should be
able to edit the cif file very conveniently there!
All the best,
>> 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
>> phenixbb mailing list
>> phenixbb at phenix-online.org
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