Hi Pavel, Thanks for the background info and implementing the utility. Looks like the map option would be best way to go. These big maps just represent a usability problem; on a large unit cell coot slows down considerably even on a powerful workstation. Cheers, Carsten -----Original Message----- From: [email protected] [mailto:[email protected]] On Behalf Of Pavel Afonine Sent: Thursday, May 16, 2013 6:29 PM To: [email protected] Subject: Re: [phenixbb] Grid size in max_entropy maps Hi Carsten, Fourier map coefficients calculated from MEM map typically extend to high resolutions (d_min) ~0.2-0.7A or so: http://www.phenix-online.org/presentations/mem.pdf Since map gridding is d_min/4 that in turn means you get very fine sampling. Cutting back resolution essentially means invalidating MEM results. phenix.maximum_entropy_map outputs MTZ file with two sets of map coefficients, original and MEM, so if you load them into Coot you will get both maps sampled at the same grid so at least visually they are comparable, and therefore sampling should not be a problem. Alternatively, I can add an option to phenix.maximum_entropy_map so it outputs actual MEM map (in CCP4 binary format or in X-plor format). Then it will have d_min/4 sampling, where d_min is the resolution on input data set. Pavel On 5/16/13 11:09 AM, Schubert, Carsten [JRDUS] wrote:

Is there a way to control the grid size in the maximum entropy maps? The current grid size is quite small, resulting in a very fine mesh.

Thanks

Carsten

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Thanks Paul, I'll give that a shot. -----Original Message----- From: [email protected] [mailto:[email protected]] On Behalf Of Paul Emsley Sent: Friday, May 17, 2013 12:21 PM To: [email protected] Subject: Re: [phenixbb] Grid size in max_entropy maps On 05/17/2013 04:34 PM, Schubert, Carsten [JRDUS] wrote:

Thanks for the background info and implementing the utility. Looks like the map option would be best way to go. These big maps just represent a usability problem; on a large unit cell coot slows down considerably even on a powerful workstation.

This might help: Edit -> Map Parameters... -> Dynamic Map Sampling [tick] (set-dynamic-map-zoom-offset 50) ;; or some value... Then recontour (e.g. midlle-mouse scroll or recentre) Paul. _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb