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Showing posts from June, 2011

Ring Plate Visualisation

One diagram I've often wanted to make was filled-in rings in molecules : Mainly for the purposes of highlighting rings without highlighting the atoms involved. This image was made using the CDK renderbasic module, and a small toy AWTRenderingVisitor that fills in paths. I'm not sure if the current one does this...

The gist for the main drawing method is here but is really just stuff seen before. The custom generator for rings is probably more interesting - if very simple - and is here. Note that it doesn't look too nice with inner-ring double bonds:
and would look nicer if the double bonds were symmetric.
EDIT : Coloring by ring equivalence classes didn't do what I expected...

Shouldn't all the outer rings be in the same class? Steran is how I expect, though: