On Thu, Mar 10, 2011 at 9:15 AM, Stephen Graham
I'd like to average 2Fo-Fc maps from 2 (approximately) isomorphous data sets (one with ligand, one without) to see whether I get better density for some of the noisier bits of the structure. I don't want to do any kind of solvent flattening, histogram matching, cyclical averaging, etc; I just want to sum the equivalent pixels and divide by 2.
Is it possible to do this easily using any of the phenix tools? It seems like all the required plumbing is there with get_cc_mtz_mtz or superpose_maps, but I can't find a phenix utility for averaging two superposed maps.
I suspect that this is possible in Resolve, but I don't know what the protocol is - at any rate, there isn't a simple utility for this. I have a script that does most of what you need, but I haven't had time to turn it into a useful multi-purpose command. Since it's useful for other applications (such as multi-start SA), I had planned to do this in the near future. But it sounds like COMAP may be your best bet for now. -Nat