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RosettaMatch in Rosetta3.2?

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RosettaMatch in Rosetta3.2?

Are there plans to release RosettaMatch (small molecule placement for enzyme design). Also, is there an estimated release date for Rosetta 3.2?

Fri, 2010-08-13 07:47

I think RosettaMatch was released in its original ++ version. There is an enzyme design application in 3.1. If all you want is the small molecule placement, ligand docking can do that (the matcher does the inverse rotamers for installing a catalytic site). Finally, there is matcher machinery in 3.1 if you dig around in src/protocols.

We don't have a timeline for 3.2 that I'm aware of. There is momentum towards a release but there are two ongoing documentation/usability projects that really ought to be finished first. Feel free to pressure the PIs if you want one sooner!

Mon, 2010-08-16 06:42