gt; From: pymol-users-boun...@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 ther
Of DeLano
> 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
ary 22, 2008 11:39 AM
> 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(t
:39 AM
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 is a constant. The following
equation
can be
omas 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 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 wrote:
>
>
> Hi All --
>
> Yes, I know I want to do something silly here, but does anyone know of a
> "jiffy" that will generate anisotropic t
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 d
