Re: [ccp4bb] X-PLOR

2012-05-04 Thread Nadir T. Mrabet
oard [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Nadir T. Mrabet Sent: Friday, April 27, 2012 6:34 AM To: CCP4BB@JISCMAIL.AC.UK 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 struct

Re: [ccp4bb] X-PLOR

2012-05-01 Thread Nicolas Foos
Hi, I find some information here : http://www.csb.yale.edu/userguides/datamanip/xplor/xplorman/htmlman.html And for a more usefull answer, they explain that : The hbuild statement tries to build the position of any selected hydrogen based on the position of the heavy atom antecedents (Brünge

Re: [ccp4bb] X-PLOR

2012-04-27 Thread Francisco Hernandez-Guzman
Nadir T. Mrabet Sent: Friday, April 27, 2012 6:34 AM To: CCP4BB@JISCMAIL.AC.UK 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

[ccp4bb] X-PLOR

2012-04-27 Thread Nadir T. Mrabet
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 -- Pr. Nadir T. Mrabet Structural& Molecular Biochemistry I