I had a similar problem while designing D-isovaline.
For this, I first created an Isovaline residue (using Marwinsketch or any
other chemical molecule editor) and changed its chirality using Avogadro.
These molecules then can be used as input to the R.E.D server for charge
calculation and force field parameters.
http://upjv.q4md-forcefieldtools.org/REDServer-Development/
go through their many tutorials on how to create such entities.
Good luck.
--Chetna
On Sat, Mar 31, 2018 at 7:05 AM, <rabi1993.iitg.ernet.in> wrote:
> Dear all,
>
> I want to work on chirality sensing of epoxides. But I have no idea how
> to create structures and force field parameters for these 'R' and 'S'
> enantiomers separately. Is there any tools for creating these types of
> structure and force field?
>
> Thank you in advance.
>
>
>
>
> Sincerely,
> Rabindranath Paul
> Research Secholar
> IIT Guwahati
> Guwahati, Assam
> 781039
> India
>
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>
--
Best wishes
Chetna
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Received on Sun Apr 01 2018 - 04:00:02 PDT
