Re: AMBER: constructing a small colecule

From: <>
Date: Fri, 5 Nov 2004 09:53:07 +0000


Sybyl is a commercial graphical modelling package. It is pretty good,
but if your institution doesn't already have a license then it is
probably not worth purchasing one just for this purpose.
I would try to use babel to convert whatever coordinates you have
into a format which antechamber can read (like pdb or mol2). You
don't need an ac format file as input to antechamber, but you should
get one as output where you can check all the atom type and bond

Dave Evans
London School of Pharmacy

---- Message from mathew k varghese <> at
2004-11-05 04:41:58 ------
>Dear AMBER users,
>I have the coordinates of a samall
>molecule.(Derrivative of curcumin) How can I create
>the file in ac format to use it with the antechamber
>package? Is it possible to run the antechamber program
>to assign atom types for the atoms? In the tutorial
>for antechamber there is a mention about sybyl(edit
>EFZ.pdb with sybyl).What is it actually?
>Mathew K Varghese
>Research Scholar
>School of Pure and Applied Physics
>Kottayam, Kerala

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Received on Fri Nov 05 2004 - 10:53:00 PST
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