[phenixbb] Average maps (*not* NCS averaging)

Nathaniel Echols nechols at lbl.gov
Thu Mar 10 10:42:00 PST 2011


On Thu, Mar 10, 2011 at 9:15 AM, Stephen Graham <scg34 at cam.ac.uk> wrote:
> 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



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