AMBER: adding organic molecule to polypeptide residue

From: Lili Peng <>
Date: Thu, 26 Jul 2007 15:36:29 -0700

Dear AMBER users,

I'd like to know how I can attach an organic molecule to a residue on a
polypeptide chain. I have two PDB files, one for the organic molecule and
the other for the chain. I tried to link the two molecules together in
Accelrys' DS Visualizer program, but it won't let me create chemical
reactions. Is there a way I can do this in AMBER, like using tleap? I read
in the AMBER archive about specifiying .lib files, but I'm not sure if this
is the direction I should pursue.

Any comments or guidance would be greatly appreciated. Thanks in advance.


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Jul 29 2007 - 06:07:28 PDT
Custom Search