Hi Pawan, There are a lot of different variables here that could change how you approach the problem, so it's difficult to give a general answer.
Nik Stiefl did a tutorial a couple of years ago that might be helpful to you: https://github.com/rdkit/UGM_2016/blob/master/Notebooks/Stiefl_RDKitPh4FullPublication.ipynb -greg On Tue, Feb 19, 2019 at 2:50 PM PAWAN KUMAR <pawan12_...@jnu.ac.in> wrote: > I am new to rdkit package and want to use the rdkit functionality to > screen the chemical database using 3D pharmacophore features. > I have pharmacophore features with inter-feature distances and coordinate > information. > Will you please provide me some demo example regarding that so that I can > use this for my set of compounds. > > -- > ~thanks and regard > PAWAN KUMAR > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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