Re: [ccp4bb] Morphing with mutations

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From: John R Helliwell jrhelliwell {- at -} GMAIL {- dot -} COM
Date: 2007-10-04

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Subject: Re: Morphing with mutations
From: "Mario A {- dot -} Bianchet" bianchet {- at -} JULIET {- dot -} MED {- dot -} JHMI {- dot -} EDU
Date: 2007-10-05

Subject: Re: Morphing with mutations
From: Warren DeLano warren {- at -} DELSCI {- dot -} COM
Date: 2007-10-05

http://delsci.com/morph

It's a start...

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] 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:gerard@xray.bmc.uu.se
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The opinions in this message are fictional. Any similarity
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CCP4bb <-- 2007 <-- October 2007 <-- 05 October 2007

Next message:
Subject: Re: Morphing with mutations
From: "Mario A {- dot -} Bianchet" bianchet {- at -} JULIET {- dot -} MED {- dot -} JHMI {- dot -} EDU
Date: 2007-10-05