[AMBER] Modelling stereochemical molecule with "R" and "S" type.

From: Vijay Manickam Achari <vjrajamany.yahoo.com>
Date: Thu, 9 Jan 2014 03:48:28 +0000 (GMT)

Dear Sir,

I have modelled a glycolipid molecule with sugar and two alkylchains. At the chain branching point there is a chiral center. I have used antechamber & glycam  to generate a topology file for hat molecule. 

When I checked the modelcule with GAUSSVIEW, I notice it has "R" type stereochemistry.  I used a tool called "invert" in the GAUSSVIEW software to model a "S" type stereochemical molecule.

Now I want to generate a topology for the "S" type molecule. 

My question is can I use the same topology as I used for "R" type molecule for this new molecule or else I need to generate start from scratch?

Many thanks in advance.


Vijay Manickam Achari
(Phd Student)
Chemistry Department,
University of Malaya,
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Received on Wed Jan 08 2014 - 20:00:03 PST
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