Thank you very much! John it works.
Now I am on right way.
I really appreciate you people for your kind support and timely reply.
BR
Rahul
Rahul Singh Gurjar
M.S. (Pharm),
Department Of Pharmacoinformatics,
NIPER, S.A.S. Nagar, Mohali,
Punjab, India.
Mail ID : singhgurjarra...@gmail.com
Contact : +91 7814192659
On Tue, May 12, 2015 at 11:38 PM, John M <john.wilkinson...@gmail.com>
wrote:
> You're call aromaticity on a compound and then discarding it and a
> different point of the code. You should load your compounds into memory as
> the table model.
>
> mol = (IAtomContainer)mdlreader.next();
> // aromaticity perception goes here
> dr = (DoubleResult)weight.calculate(mol).getValue();
>
> J
>
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