[gmx-users] chirality check

[Daniel Larsson]

DIY solution:

You can calculate the location of the carbon relatively to a plane  
defined by three of the atoms bound to the carbon. To be on the safe  
side, also calculate on which side the fourth atom is located (should  
be the same as the carbon).

- Daniel


On May 20, 2008, at 13:19, sanjay23 at iitb.ac.in wrote:

> dear gromacs user,
> i am doing simlation of a small molecules which have chiral corbon.  
> i want
> to chechk whethere the chirality maintaned during simulation or  
> not, any
> one sugest me how to check it.
> thanks
> sanjay
>
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---

Daniel Larsson
Molecular Biophysics group
Department of Cell and Molecular Biology
Uppsala University

+46-18-471 4006 (phone)
+46-18-511 755  (fax)
http://xray.bmc.uu.se/~larsson
larsson at xray.bmc.uu.se