Bin,
> I got the atomic charges from R.E.D. server and now I want to show them
> with the molecular structure. I tried VMD and PyMOL but can not get the
> charge label. On the R.E.D. website, Jmol is used to show the charge
> value, but it is an option with check box. Could anybody let me know how
> to run it as local application?
I forgot...
Concerning the use of Jmol on a local machine to display the charge
values or atom names I am not sure this is that convenient... You need
to install a web server (apache), Java Sun and also Jmol on your local
machine. To make the system functional I think (I might be wrong; in
all the cases we found this approach not that convenient) you need to
have the mol2 file in your login and in the Jmol directory or in a
Jmol subdirectory (otherwise you get errors and the molecule is not
found).
This is why we use Jmol to display structures, atom names, atom types,
etc... 'on the web' and VMD locally on a workstation.
regards, Francois
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Received on Fri Feb 24 2012 - 23:30:02 PST
