Dear Diego,
Jmol isn't in the business of calculating atomic charges. You will have to
find a program that does that and feed its output to Jmol. I'm not aware
that this exists for DNA. The PDB2PQR software (at least the on-line server
at http://kryptonite.nbcr.net/pdb2pqr) does not seem to allow it.
Bob Hanson
On Thu, Dec 15, 2011 at 10:34 AM, Diego Pereira <[email protected]>wrote:
> Dear all,
>
> I'm brand new in Jmol so excuse me if this question is so basic.
>
> I'm working with DNA and would like to be able to calculate and display
> the electrostatic potential of a sequence.
>
> I'm generating the .pdb file using NAB at http://casegroup.rutgers.edu/but
> there is no option to calculate the electrostatic potential.
>
> Can somebody point me in the right direction to accomplish this task?
>
> Many thanks in advance,
>
> Diego
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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10 Tips for Better Server Consolidation
Server virtualization is being driven by many needs.
But none more important than the need to reduce IT complexity
while improving strategic productivity. Learn More!
http://www.accelacomm.com/jaw/sdnl/114/51507609/
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