Thanks Francisco.
Nicolas, thanks also for your feedback.
In fact, I had already downloaded the X-PLOR manual, but I needed some
more details on the H-atoms optimization procedure.
That was for the purpose of a teaching work on a 1995 paper.
Best regards,
Nadir
Pr. Nadir T. Mrabet
Structural& Molecular Biochemistry
INSERM U-954
Nancy University, School of Medicine
9, Avenue de la Foret de Haye, BP 184
54505 Vandoeuvre-les-Nancy Cedex
France
Phone: +33 (0)3.83.68.32.73
Fax: +33 (0)3.83.68.32.79
E-mail: Nadir.Mrabet<at> medecine.uhp-nancy.fr
On 27/04/2012 16:59, Francisco Hernandez-Guzman wrote:
Nadir,
There is an explicit bulletin board for questions regarding CNS and XPLOR. I
would suggest posting your question there.
http://tech.dir.groups.yahoo.com/group/cnsbb/
Cheers,
Francisco
-----Original Message-----
From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of Nadir T.
Mrabet
Sent: Friday, April 27, 2012 6:34 AM
To: [email protected]
Subject: [ccp4bb] X-PLOR
Hi,
Could someone explain to me the scientific details of the protocols used in
X-PLOR to (1) build explicit hydrogen atoms onto X-ray structures and
(2) optimize their positions?
Many thanks in advance.
Greetings,
Nadir
