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Re: graph libraries

Cousin Stanley
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Andrew ....

The Java classes provided with the Chemistry Development Kit
if interfaced with a bit of Jython might be useful ...

Cousin Stanley
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Phoenix, Arizona

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Brian Kelley
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Hi Andrew! A couple more to pepper your list:

Graph Template Library
Seems to have some fairly decent algorithms but I can't say much more
than that.

GNU Goblin Graph Library
Good editors and layout support (not for molecules, of course). Uses
TCL/TK to script but I think a python port would be minimal.

And of course, vflib has their own internal model that I have wrapped.
You can download it from

We could then go into the commercial libraries:

LEDA and it's java equivalent yWorks. They also distribute BALL
a molecular modelling environment for protein prediction/docking and the
like. Good academic license but pricey otherwise.

Tom's Graph Library -> great layout routines.


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