[Chimera-users] accessible surface area for electron density maps

Elaine Meng meng at cgl.ucsf.edu
Fri Mar 27 09:57:47 PDT 2009


Hi Murali,
As far as I know, there is no definition of accessible surface area  
for an electron density map (and thus no way to calculate it in  
Chimera), only for atomic structures.  I'll describe how to get it  
for atomic structures in my next message, replying to David.
Best,
Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                       http://www.cgl.ucsf.edu/home/meng/index.html

On Mar 27, 2009, at 8:18 AM, Murali Ayaluru wrote:

> Hi Elaine,
>
> Thanks for the quick reply.  I am aware of calculating the total  
> surface area of the density maps using Chimera and has been using  
> it for a long time.  Now I am interested in the surface area that a  
> solvent can access (in otherwords called - (solvent) accessible  
> surface area).  This is a part of the total surface area.  Please  
> mail me if this tool is available in Chimera.
>
> Regards,
> Murali




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