Re: [Rdkit-discuss] molecule standardization in cartridge search

2015-09-26 Thread Jan Holst Jensen
Hi Tim, Soren (cc:ed) wrote me and asked about molvs. Thanks to Soren for reminding that the original question was about standardization more than calling Python code from Postgres :-). http://molvs.readthedocs.org/en/latest/ Take a look at molvs - it's got lots of functionality that you will

Re: [Rdkit-discuss] atom size when plotting a molecule

2015-09-26 Thread Axel Pahl
Hi Jing, you could try playing with the Drawing Options, e.g.: Draw.DrawingOptions.atomLabelFontFace = "DejaVu Sans" Draw.DrawingOptions.atomLabelFontSize = 18 Kind regards, Axel On 25.09.2015 21:30, Jing Lu wrote: Dear RDKit users, I use Draw.MolsToFile for plotting 2D molecules. However, th