Re: [Rdkit-discuss] Custom fingerprint in PostgreSQL: null character error; convert numpy array into bit vector

2017-09-05 Thread Konrad Koehler
Thanks for the suggestion Greg. Unfortunately that did not work either. So I bit the bullet and installed anaconda python 3 and then the example in your blog works without modification. I had some trouble installing rdkit and rdkit-postgresql with conda: conda install -c rdkit rdkit-postgresq

Re: [Rdkit-discuss] Custom fingerprint in PostgreSQL: null character error; convert numpy array into bit vector

2017-09-04 Thread Greg Landrum
I know from the subsequent post that you've moved on from this, but it's probably worth responding here anyway: On Fri, Sep 1, 2017 at 9:36 AM, Konrad Koehler wrote: > > > *First problem*: Null characters. When I run the example script (using > the Sheridan bit vector fingerprints), I generate t

[Rdkit-discuss] Custom fingerprint in PostgreSQL: null character error; convert numpy array into bit vector

2017-09-01 Thread Konrad Koehler
Hi, I am trying to add ErG fingerprints to PostgreSQL using the following post as a guide: https://github.com/greglandrum/rdkit_blog/blob/master/notebooks/Custom%20fingerprint%20in%20PostgreSQL.ipynb