[AMBER] Residue building and controlling the substitutes

From: John S <s.john634.gmail.com>
Date: Thu, 16 Dec 2010 18:39:48 -0500

Dear Amber Users,

I am thankful to all for your previous suggestions .I got my polymer chain
built in xleap.

for example

set x head x.RES.C1
set x tail x.RES.C8
y=sequence {unit unit unit }
savepdb y Mol_1.pdb

Is there any way of controlling the tacticity. I am working on three
different polymers, but when I use the monomers through the sequence
command, the structure related to tacticity , takes on its own.One forms a
syndiotactic and other an isotactic chemical structure. Is there any way of
controlling this.

Thank You
AMBER mailing list
Received on Thu Dec 16 2010 - 16:00:05 PST
Custom Search