Subject: Re: CCL:charge visualization

From: "Tamas E. Gunda" <[email-masked]>
Date: Mon, 9 Oct 2000 10:07:21 +0200

> Dear CCLers,
> 
>  I am interested to plot the charge (for example as a sphere centred on
>  the nuclear position) of a molecular structure.
>  At yours knowledge there is any free program (available from the net)  
>  for do that?
> 
> 
>  Thanks, in advance
>      Massimo
>From: Massimo Ottonelli <[email-masked]>

Not the usual solution (when the charge is plotted in a surface) what Mol2mol
can do in conjunction with POV-Ray: a vector model can be colored by the
charges (or any other atom properties), see the
[begin [email-masked] Moderator intervention: moved image from e-mail to web side]
      http://www.ccl.net/images/gpen4_na.jpg 
for the image of penicillin.
[end [email-masked] Moderator intervention: moved image from e-mail to web side]

However, Mol2Mol is not a free program,
look at http://www.compuchem.com/mol2mol.htm

Sincerely
T.E. Gunda
--------------
Dr Tamas E. Gunda
Research Group for Antibiotics of the Hungarian Acad. Sci.
University of Debrecen, POBox 36
H-4010 Debrecen, Hungary
tel.: (+36-52) 316666/2472
fax: (+36-52) 512914
e-mail: [email-masked]
home-page: www.klte.hu/~gundat/gunda.htm