...@lists.sourceforge.net
[mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf
Of Schubert, Carsten [PRDUS]
Sent: Sunday, February 24, 2008 11:12 AM
To: DeLano Scientific
Cc: PyMOL-users@lists.sourceforge.net
Subject: Re: [PyMOL] Isotropic thermal ellipsoids
Warren,
this thread gave me an idea
Scientific
Sent: Friday, February 22, 2008 2:39 PM
To: 'Tsjerk Wassenaar'; 'Thomas Stout'
Cc: PyMOL-users@lists.sourceforge.net
Subject: Re: [PyMOL] Isotropic thermal ellipsoids
Tsjerk,
Close, but the relationship isn't linear. RMS displacement is
c*sqrt(temperature-factor), where c
Hi Tom,
Does what you're trying to do come down to:
alter all, vdw=b/100
show spheres
?
Cheers,
Tsjerk
On Fri, Feb 22, 2008 at 1:42 AM, Thomas Stout tst...@exelixis.com wrote:
Hi All --
Yes, I know I want to do something silly here, but does anyone know of a
jiffy that will generate
Subject: Re: [PyMOL] Isotropic thermal ellipsoids
Hi Tom,
Does what you're trying to do come down to:
alter all, vdw=b/100
show spheres
?
Cheers,
Tsjerk
On Fri, Feb 22, 2008 at 1:42 AM, Thomas Stout
tst...@exelixis.com wrote:
Hi All --
Yes, I know I want to do
'; Thomas Stout
Cc: PyMOL-users@lists.sourceforge.net
Subject: RE: [PyMOL] Isotropic thermal ellipsoids
Tsjerk,
Close, but the relationship isn't linear. RMS displacement is
c*sqrt(temperature-factor), where c is a constant. The following
equation
can be found in crystallography texts:
B = U * 8
, February 22, 2008 1:11 AM
To: Thomas Stout
Cc: PyMOL-users@lists.sourceforge.net
Subject: Re: [PyMOL] Isotropic thermal ellipsoids
Hi Tom,
Does what you're trying to do come down to:
alter all, vdw=b/100
show spheres
?
Cheers,
Tsjerk
On Fri
Hi All --
Yes, I know I want to do something silly here, but does anyone know of a
jiffy that will generate anisotropic thermal parameters for an
isotropic atom?
My end goal is to create a figure showing a ligand as ball-and-stick
where the spheres are scaled by the B-factor. Since I'm not
