AMBER Archive (2007)

Subject: AMBER: adding organic molecule to polypeptide residue

From: Lili Peng (lilipeng_at_gmail.com)
Date: Thu Jul 26 2007 - 17:36:29 CDT

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.

Regards,
Lili

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