RE: [PyMOL] vdw volume

[Warren D. <wa...@de...>]

Binging,

There aren't any volume computations in PyMOL...

To set radii, use the alter command *after* loading the molecule

   alter elem c, vdw=1.9
   alter elem n, vdw=1.8
   alter elem o, vdw=1.7
   rebuild

Cheers,
Warren


--
Warren L. DeLano, Ph.D.                     
Principal Scientist

. DeLano Scientific LLC  
. 400 Oyster Point Blvd., Suite 213           
. South San Francisco, CA 94080 USA   
. Biz:(650)-872-0942  Tech:(650)-872-0834     
. Fax:(650)-872-0273  Cell:(650)-346-1154
. mailto:wa...@de...      
 

> -----Original Message-----
> From: pym...@li... 
> [mailto:pym...@li...] On Behalf Of 
> Bingding Huang
> Sent: Monday, June 06, 2005 12:51 AM
> To: PYMOLBB
> Subject: [PyMOL] vdw volume
> 
> Hi,
> How to get the vdw volume of a selection in pymol and how to 
> set different radii for atoms?
> 
> Thanks
> 
> Bingding
> 
> --
> Bingding Huang
> PhD student
> Bioinformatics group
> Biotec & Department of Computing
> Tazberg 47, 01307
> TU Dresden, Germany
> 
> Tel:    0049 351 46340064 (Office)
> Tel:    0049 351 4403368  (Home)
> Fax:    0049 351 46340061
> Mobile: 01772981375
> E-mail: bh...@bi...
> 
> 
> 
> -------------------------------------------------------
> This SF.Net email is sponsored by: NEC IT Guy Games.  How far 
> can you shotput a projector? How fast can you ride your desk 
> chair down the office luge track?
> If you want to score the big prize, get to know the little guy.  
> Play to win an NEC 61" plasma display: 
> http://www.necitguy.com/?r=20 
> _______________________________________________
> PyMOL-users mailing list
> PyM...@li...
> https://lists.sourceforge.net/lists/listinfo/pymol-users
>