Thanks Warren!
That worked really well.
All the best,
--Buz
On Dec 18, 2008, at 10:08 PM, DeLano Scientific wrote:
Buz,
alter elem Na, elem='K'
iterate elem K, print vdw
show spheres, elem K
alter elem K, vdw=1.4
rebuild
iterate elem K, print vdw
color yellow, elem K
Cheers,
Warren
--
DeLano Scientific LLC
Subscriber Support Services
mailto:supp...@delsci.com
-----Original Message-----
From: Buz Barstow [mailto:b...@mac.com]
Sent: Thursday, December 18, 2008 2:30 PM
To: pymol-users@lists.sourceforge.net
Subject: [PyMOL] Mutating an Ion in Pymol and Displaying van
der waals Radii
Dear All,
I'd like to mutate an ion in pymol from a potassium to a
sodium. Is there an easy way to do this from the command line
without having to edit the pdb file of the structure?
Also, when one displays an atom (for instance a K atom) using
the spheres representation, is the radius of the sphere equal
to the Pauling radius of the atom (under the assumption that
it is ionized)?
For K, it looks like it is.
Thanks! and all the best,
--Buz
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