AB INITIO WITH METALLOPROTEIN

[Anonymous]

Hello everyone!

I’m new in the community and I would like to know where I find information about ab initio with metalloproteins (metalloprotein abinitio relax). I just found this link in the forum that talks about docking with metal but it’s not exactly what I’m looking:

http://www.rosettacommons.org/node/2259

I’m trying to generate the same results in Wang et al., 2010 (Prediction of structures of zinc-binding proteins through explicit modeling of metal coordination geometry, 2010, Protein Science)

I would be very grateful if someone could help.

[Anonymous]

That paper appears to have been done in Rosetta3, not Rosetta++ (Rosetta2). (You’ve posted in ++). So, first, if you have ++, you’ll probably want 3.

I can’t find any explicit metalloprotein abrelax documentation either. I get the feeling I’ve seen it in the past but I can’t find it just now. There is a partial demo at rosetta_tests/integration/tests/metalloprotein_abrelax (and metalloprotein_broker). I’ll ask Chu (Wang) if there’s documentation I’m not finding.

[Anonymous]

Hi smlewis,

Thanks. It was done in Rosetta3. I’ll post in the correct location.

[Author]

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