Hi Paul,
you can use PRODRG server at Dundee university (
http://davapc1.bioch.dundee.ac.uk/prodrg/ )
It generates libraries in different formats... you just need to
copy/paste in your preferred text editor.
HTH
Marco
Paul Lindblom wrote:
Hi all,
I need to create a cif file for a new ligand that does not exist in
the pdb, so far. Normally refmac created such a cif file when I merged
the ligand to the structure, but this time it stops with a "fatal
error". I think the alternatives are "sketcher" and the prodrg server.
Can anybody tell me if I have to define the geometric restraints by
myself, or is it possible to take just the output files and put them
into refmac.? And if I have to define the geometric restraints, how to
do this?
Thanks,
Paul
--
-----------------------------------------------------------
Marco Mazzorana, PhD
Structural Biology and Biocomputing Programme
CNIO - Centro Nacional de Investigaciones Oncológicas
C/ Melchor Fernández Almagro, 3, E-28029 Madrid (España)
Phone: +34 91 2246900 ext. 3033
Fax: +34 91 2246976
www.cnio.es <http://www.cnio.es>
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