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Re: graph libraries

 
 
Cousin Stanley
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      07-30-2003
Andrew ....

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

http://cdk.sourceforge.net/

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Cousin Stanley
Human Being
Phoenix, Arizona


 
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Brian Kelley
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      07-30-2003
Hi Andrew! A couple more to pepper your list:

Graph Template Library
http://www.infosun.fmi.uni-passau.de/GTL/
Seems to have some fairly decent algorithms but I can't say much more
than that.

GNU Goblin Graph Library
http://www.math.uni-augsburg.de/opt/goblin.html
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 http://frowns.sourceforge.net/

We could then go into the commercial libraries:

LEDA and it's java equivalent yWorks. They also distribute BALL
http://www.algorithmic-solutions.com...schreibung.htm
a molecular modelling environment for protein prediction/docking and the
like. Good academic license but pricey otherwise.

Tom's Graph Library -> great layout routines.

Brian.

 
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