Molecules drawing code memo (Highlight Functional groups) #memo

Here is an example for draw molecules with FG highlighting. Improved version of the code can be found in last part of the post.

Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.

RDKit has fdef file for common functional groups. So we can use it for highlighting atoms as same as pharmacohore. Today’s example is just for my memo. Because I often forget many useful options.

MolDraw2DSVG object can draw molecules with DrawMolecules method. So it is easy to draw molecules as high quality SVG image.

Greg suggested me following improved version of the code! Thanks a lot!!

Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Advertisement

Published by iwatobipen

I'm medicinal chemist in mid size of pharmaceutical company. I love chemoinfo, cording, organic synthesis, my family.

Leave a Reply

Fill in your details below or click an icon to log in:

WordPress.com Logo

You are commenting using your WordPress.com account. Log Out /  Change )

Twitter picture

You are commenting using your Twitter account. Log Out /  Change )

Facebook photo

You are commenting using your Facebook account. Log Out /  Change )

Connecting to %s

This site uses Akismet to reduce spam. Learn how your comment data is processed.

%d bloggers like this: