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[modeller_usage] mutation



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