There might be a useful lead in these pages:
http://ccl.osc.edu/cca/archived-messages/92/10/12
http://www.compchemcons.com/publications/polsil.htm
Bill Ross
LEU -> ALA mutation is simple. But ALA -> LEU can be a bit tricky if it
has to potential to bump into other neighboring atoms.
yong
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
Of Ioana Cozmuta
Sent: Monday, October 27, 2003 7:46 PM
To: Amber List
Subject: AMBER: aminoacid mutation
Hi amber users,
Is there a way to "automatically" mutate an aminoacid from a protein
structure into another one. Say I want to replace an ALA aminoacid with
a
LEU aminoacid. Is it possible just to select the ALA aminoacid I want to
mutate and turn it into LEU? Is there some software out there that
could do this on a more automatic basis?
The way I thought doing it was to edit the pdb file myself and try to
edit
the coordinates of the atoms in the new aminoacid such that the bond
lengths are preserved and then equilibrate the new positions. But then
my
boss told me to try "not to lose time with this" and find a software
that
does it automatically :)
Any suggestions are welcomed!
Thanks,
Ioana
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Oct 28 2003 - 05:53:01 PST
