Re: [Rdkit-discuss] Rdkit-discuss Digest, Vol 116, Issue 14

2017-06-07 Thread Popov, Maxim (Ext)
Hi, Greg, Manuel and Jan, Many thanks for the answers and information - it works well. Cheers, Maxim -Original Message- From: Schwarze, Manuel Sent: Dienstag, 6. Juni 2017 14:38 To: rdkit-discuss@lists.sourceforge.net Cc: Popov, Maxim (Ext) Subject: RE: Rdkit-discuss Digest, Vol 116,

Re: [Rdkit-discuss] Rdkit-discuss Digest, Vol 116, Issue 14

2017-06-06 Thread Schwarze, Manuel
Hi Maxim, The KNIME node "RDKit Molecule Fragmenter" is indeed quite useful. Since what it does for you in KNIME is based on RDKit functionality, you can do the same also outside of KNIME. Usually, there is not a single method to call, rather a code block that performs multiple operations,