VMD-L Mailing List

From: Marc Baaden (baaden_at_smplinux.de)
Date: Tue May 11 2004 - 16:10:22 CDT

Hi,

>>> John Stone said:
>> If anyone knows of other solvent accessible/excluded surface calculation
>> tools that work better, I'd be glad to hear about them.

What a coincidence. Just today I tried out the latest version of
the Yasara visualization and MD software (www.yasara.org) and they
have just added surface support. They provide analytical surfaces,
also using MSMS, but also have a faster algorithm which they call
"Gaussian", and this one is very fast (you can eg visualize the changing
surface of a protein in real time by visualizing an MD trajectory, with
coloring changing as a function of electrostatics).

I don't know whether this method is/will be freely available, maybe
the best would be to post on the yasara user forum or ask the question
directly to Elmar Krieger (the main person behind Yasara).

Best wishes,
Marc Baaden 

-- 
 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden_at_smplinux.de      -      http://www.marc-baaden.de
 FAX: +49 697912 39550  -  Tel: +33 15841 5176 ou +33 609 843217