2016/02/morgan-fingerprint-bit-statistics.html
> You can grab the notebook itself here:
> https://github.com/greglandrum/rdkit_blog/blob/4a939401fe5a7f0842fa59f3061510f1a4d4aa4e/notebooks/Looking%20at%20Morgan%20bit%20counts.ipynb
>
> Best,
> -greg
>
>
> On Sun, Mar 6, 2016 at
/specific to
have smart for the bit
Kind Regards
Shaikh Naeem Attari
Ph.D. Candidate, Department of Pharmacoinformatics
National Institute of Pharmaceutical Education and Research (NIPER)
S.A.S. Nagar, India. +91 7814727792
in.linkedin.com/in/naeemraza25
Hi Riccardo,
Thanks for the solution. You were right. There were system environment
variables of previous installation. I have removed them and deleted the old
rdkit directory.
Problem solved :)
Kind Regards
Shaikh Naeem Attari
Ph.D. Candidate, Department of Pharmacoinformatics
National Institute
rdBase
print rdBase.rdkitVersion
I am getting
2014.09.2
Kind Regards
Shaikh Naeem Attari
Ph.D. Candidate, Department of Pharmacoinformatics
National Institute of Pharmaceutical Education and Research (NIPER)
S.A.S. Nagar, India. +91 7814727792
in.linkedin.com/in/naeemraza25/
On 15 January 2016
Hi,
Is it possible to generate rdkit mol object only from xyz coordinates?
It would be useful to connect rdkit with other tools.
Was asked earlier: http://sourceforge.net/p/rdkit/mailman/message/31601105/
Thanks
Kind Regards
Shaikh Naeem
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