On Mon, Jan 14, 2013 at 11:18 AM, Tim Gruene <t...@shelx.uni-ac.gwdg.de> wrote: > I admit not having read all contributions to this thread. I understand > the "John Henry Challenge" as whether there is an 'automated way of > producing a model from impossible.mtz'. From looking at it and without > having gone all the way to a PDB-file my feeling is one could without > too much effort from the baton mode in e.g. coot.
This should be even more possible if one also uses existing knowledge about the expected structure of the protein: a kinase domain is quite distinctive. So, James, how much external information from homologous structures are we allowed to use? Running Phaser would certainly be cheating, but if I take (for instance) a 25% identical kinase structure, manually align it to the map and/or a partial model, and use that as a guide to manually rebuild the target model, does that meet the terms of the challenge? -Nat
