Try probe.
http://kinemage.biochem.duke.edu/software/probe.php
On Wed, Jun 23, 2010 at 11:37 AM, Prija Ponnan <prija.pon...@gmail.com>wrote:
> Yes, coumarin is not sperical and so its diificult to calculate the radius
> by determining its volume.
> I am given task to calculate the vdw radius of a diacetoxy coumarin
> molecule and I happen to find that PYMOL has an option to label vdw radius.
> But the PYMOL could label vdw radius of individual atom. Can anyone suggest
> me how i could determine vdw radius using any software.
>
> Thank you
>
> On Wed, Jun 23, 2010 at 2:58 PM, Prija Ponnan <prija.pon...@gmail.com>wrote:
>
>> Hello
>>
>> I want to determine van der waals radius of a coumarin molecule.
>> Pymol has an option to calculate van der waals radius, but it calculate
>> vdw radius of individual atoms.
>> Is it possible to determine vdw radius of the molecule as a whole.
>>
>> Thank you
>>
>> --
>> Prija Ponnan
>>
>
>
>
> --
> Prija Ponnan
>
>
> ------------------------------------------------------------------------------
> ThinkGeek and WIRED's GeekDad team up for the Ultimate
> GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the
> lucky parental unit. See the prize list and enter to win:
> http://p.sf.net/sfu/thinkgeek-promo
> _______________________________________________
> PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
> Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>
--
Jiamu Du, Ph.D.
Postdoctoral Research Fellow
Laboratory of Structural Biology
Memorial Sloan-Kettering Cancer Center
RRL 269, 430 E 67th Street
New York, NY, 10021
E-mail: d...@mskcc.org
Tel: (917) - 292 - 4616
------------------------------------------------------------------------------
ThinkGeek and WIRED's GeekDad team up for the Ultimate
GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the
lucky parental unit. See the prize list and enter to win:
http://p.sf.net/sfu/thinkgeek-promo
_______________________________________________
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
