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Re: [ccp4bb] Vary b-factors from a plane/point.
 

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CCP4bb <-- 2007 <-- October 2007 <-- 09 October 2007
Previous message:
Subject: Vary b-factors from a plane/point.
From: David Briggs drdavidcbriggs {- at -} GMAIL {- dot -} COM
Date: 2007-10-09 		Next message:
Subject: Hybrid Methods Conference Announcement
From: Wes Sundquist wes {- at -} BIOCHEM {- dot -} UTAH {- dot -} EDU
Date: 2007-10-09


Subject: Re: Vary b-factors from a plane/point.
From: Stephen Graham stepheng {- at -} STRUBI {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2007-10-09
Hi David,

Attached is a script I wrote for doing a similar thing in pymol. It
sets the B value of an atom to be the distance of that atom from a
specified point (optionally normalising the final values from 0-100).
You can then either draw the molecule coloured by B in pymol, or
export the coords for use in your favourite graphics package.

Usage is as follows (from inside pymol, assuming the script is in
directory /path/to):

run /path/to/distance_to_B.py
distance_to_B( "all", [0,0,0] )

It would be fairly trivial to extend the code to measure the distance
from a plane instead of from a point.

Cheers,

Stephen

On 10/9/07, David Briggs wrote:
> Hi everyone,
>
> I know that this has been discussed on the bb before now, but 20 pages of
> google search in, I have still come up with zip.
>
> I want to vary b-factors smoothly from either point or a plane. This is for
> pretty-picture purposes.
> I can then colour molecule by b-factor and get nice, pretty effects.
>
> Thank you in advance for your assistance,
>
> David
>
> --
> ============================
> David C. Briggs PhD
> Father & Crystallographer
> http://personalpages.manchester.ac.uk/staff/David.C.Briggs/
> < BROKEN!
> AIM ID: dbassophile
> ============================


--
Dr Stephen Graham
Nuffield Medical Fellow
Division of Structural Biology
Wellcome Trust Centre for Human Genetics
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