Get 3D distance matrix with rdkit #RDKit

I updated rdkit of my env from 20180301 to 20180303 with anaconda. ;-) When I want to get 3D distance matrix of the molecule I use Get3DDistanceMatrix method. But I found that rdDistGeom.GetMoleculeBoundsMatrix returns almost same results. 3DDistance matrix is useful for feature of 3D QSAR. I would like to use these method. And alsoContinue reading “Get 3D distance matrix with rdkit #RDKit”