Re: [Rdkit-discuss] Color bonds with value

2022-07-06 Thread David Cosgrove
If hacking the SVG isn't to your taste, you can pass into DrawMolecule a list of bonds for highlighting, and the colour of highlight for each bond. This will put a coloured band alongside each bond. Also, DrawMoleculeWithHighlights allows you to put multiple coloured highlights for each bond, so

Re: [Rdkit-discuss] Color bonds with value

2022-07-05 Thread Paolo Tosco
Hi Joey, not sure if by "color" you mean text labelling or actually mapping a property to a color. Anyway, here's some code for either use case. The text labelling is easy, the individual bond coloring can be done by fiddling with the SVG text. import re import xml.etree.ElementTree as ET import

[Rdkit-discuss] Color bonds with value

2022-07-05 Thread Storer, Joey (J) via Rdkit-discuss
Hi all, I would like to color all bonds with a value. Does anyone have a snippet for this? Many thanks! Joey Storer Dow Inc. Core R General Business ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net