[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[modeller_usage] mutation
- To: O.Lancaster AT postgrad.umist.ac.uk, modeller_usage@listsrv.ucsf.edu
- Subject: [modeller_usage] mutation
- From: "Jaimin Shah" <jaimin AT iitb.ac.in>
- Date: Mon, 23 Feb 2004 22:31:24 +0530 (IST)
Hello Dr. Owen. I am sorry I did not explain well.
I am not able to compute H-bonds using Swiss-PDBViewer and I am getting
"Unrealistic B-factor 0.0" in the log file of the mutant protein.
(I had generated the mutant protein using the MUTATE_MODEL command of
MODELLER.)
Any suggestions will be appreciated.
> Hi Jaimin,
>
> What do you mean by compute H-bonds? If you mean you want to add hydrogen
> atoms and calculate some kind of energy i'd suggest using a molecular
> mechanics program such as CHARMM. Hope this is of help!
>
> Owen
>
>
>
Sincerely,
Jaimin Shah
M.Sc. (Biotechnology)
School of Biosciences & Bioengineering
I.I.T. Bombay