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

Pavel Afonine pafonine at lbl.gov
Thu Mar 10 12:01:08 PST 2011


  Hi,

look for " def combine_maps" here:

http://cci.lbl.gov/~afonine/mssa2/run.py

that does it what you want. It reads in all files with map coefficients, 
averages them, and outputs averaged map coefficients. Since Fourier 
transformation is a linear operation, averaging map coefficients is 
equivalent to averaging actual maps.

In 5 minutes I can turn this script into something like

phenix.average_map_coefficients map_coeff1 map_coeff2.mtz labels=" 2FOFCWT"

Do we need this tool? Tom, how much of non-isomorphism we should allow 
before the above tool stops?

Pavel.

On 3/10/11 9:49 AM, Tom Terwilliger wrote:
> Hi Stephen,
> I don't know of any phenix tools that will average two maps, though 
> you are right that everything is there to do it quite easily.
> -Tom
>
> On Mar 10, 2011, at 10:15 AM, Stephen Graham wrote:
>
>> Hi there,
>>
>> 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.
>>
>> Thanks,
>>
>> Stephen
>>
>> -- 
>> Dr Stephen Graham
>> 1851 Research Fellow
>> Cambridge Institute for Medical Research
>> Wellcome Trust/MRC Building
>> Addenbrooke's Hospital, Hills Road
>> Cambridge, CB2 0XY, UK
>> Phone: +44 1223 762 638
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>
>
> Thomas C. Terwilliger
> Mail Stop M888
> Los Alamos National Laboratory
> Los Alamos, NM 87545
>
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