http://delsci.com/morph

It's a start...

-----Original Message-----
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Gerard DVD Kleywegt
Sent: Wednesday, October 03, 2007 6:55 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Morphing with mutations

>            What about to do a cartesian morphing with the mutated
residue 
> added (or removed) atoms having initial ( or final) coordinates  taken
from 
> previous common atom?
>            Will work? Coloring may be a factor... but with a manual
editing 
> perhaps...

you mean, for instance, if you have an Ala->Trp you call the ala 'trp',
add 
all missing 'trp' side-chain atoms and put them on top of the CB, and
then 
morph to the real trp, so the additional side-chain atoms will slowly 
"explode" out of the CB and towards their final positions? (and for a
Trp->Ala 
mutation you could do the same thing of course, but the extra side-chain
atoms 
would then be "sucked up" by the CB like a black hole) yep, that is a
trick 
that would probably work!

if anyone gets it to work, i would be interested in seeing the result
and 
learning details, so i could add it to the lsqman manual or the morphing

tutorial

--dvd

******************************************************************
                         Gerard J.  Kleywegt
     [Research Fellow of the Royal  Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology  University of Uppsala
                 Biomedical Centre  Box 596
                 SE-751 24 Uppsala  SWEDEN

     http://xray.bmc.uu.se/gerard/  mailto:[EMAIL PROTECTED]
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    The opinions in this message are fictional.  Any similarity
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