Friday, 15 November 2019

Drawing a molecule using CDK Depict

Before I wrote a blogpost on how to draw a molecule using OpenBabel.

Another lovely way to draw a molecule is using CDK Depict.

I can paste in a SMILES string, eg. for the drug tegaserod 'CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12', and get a picture:

I prefer to have the picture in colour on a white background, and no abbreviations: