Combine map labels
Hello, I have a following question. I have generated several Fo-Fc sa omit maps (FOFCWT, PHFOFCWT) for different portions of a DNA molecule. Now that I have each omit map as a separate file to display the whole DNA omit map I have to load them in coot one by one. Is there a way of how to combine all this maps into one file and have a single name for label columns so that the whole map will open at once? I managed to put them all in one file but column labels are separate: FOFCWT_1, PHFOFCWT_1 FOFCWT_2, PHFOFCWT_2...... Can they all go under FOFCWT, PHFOFCWT? Thank you very much for any suggestion Mikalai
On Fri, Sep 21, 2012 at 3:03 AM, Mikalai Lapkouski
I have a following question. I have generated several Fo-Fc sa omit maps (FOFCWT, PHFOFCWT) for different portions of a DNA molecule. Now that I have each omit map as a separate file to display the whole DNA omit map I have to load them in coot one by one. Is there a way of how to combine all this maps into one file and have a single name for label columns so that the whole map will open at once?
I managed to put them all in one file but column labels are separate: FOFCWT_1, PHFOFCWT_1 FOFCWT_2, PHFOFCWT_2...... Can they all go under FOFCWT, PHFOFCWT?
No, one of the limitations of the MTZ format is that column labels must be unique. -Nat
In any case, there's no easy way to tell an FFT program to use different sets of labels for different parts of the map. But you can probably do something close to what you want by computing a composite omit map in AutoBuild. Randy Read On 21 Sep 2012, at 12:37, Nathaniel Echols wrote:
On Fri, Sep 21, 2012 at 3:03 AM, Mikalai Lapkouski
wrote: I have a following question. I have generated several Fo-Fc sa omit maps (FOFCWT, PHFOFCWT) for different portions of a DNA molecule. Now that I have each omit map as a separate file to display the whole DNA omit map I have to load them in coot one by one. Is there a way of how to combine all this maps into one file and have a single name for label columns so that the whole map will open at once?
I managed to put them all in one file but column labels are separate: FOFCWT_1, PHFOFCWT_1 FOFCWT_2, PHFOFCWT_2...... Can they all go under FOFCWT, PHFOFCWT?
No, one of the limitations of the MTZ format is that column labels must be unique.
-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
------ Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: + 44 1223 336500 Wellcome Trust/MRC Building Fax: + 44 1223 336827 Hills Road E-mail: [email protected] Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
Not a trivial undertaking, but it can be done. After all, CNS composite omit map does output (optionally) the map coefficients. The way it is done there is by doing fourier transform on the output map. So, you can do something along these lines 1. Calculate electron density maps from each of your truncated models. 2. Generate masks for each of your truncated models on the same grid. 3. Combine maps with corresponding masks. 4. Combine all the resulting masked maps. 5. Calculate structure factors from the resulting composite map. There are definitely programs out there (sfall, mapman, etc) that you can use top accomplish this. This would be a great learning experience for you, however if you are more of a practical person and simply want to get that final map asap, you are probably better off rerunning your composite omit map calculation using one of the following tools http://www.phenix-online.org/documentation/autobuild.htm#anch174 http://cns-online.org/cgi-bin/cns_solve_1.3/cns_view.cgi?&file=inputs/xtal_refine/composite_omit_map.inp http://www.ccp4.ac.uk/ccp4/html/comit.html Cheers, Ed. On 09/21/2012 06:03 AM, Mikalai Lapkouski wrote:
Hello,
I have a following question. I have generated several Fo-Fc sa omit maps (FOFCWT, PHFOFCWT) for different portions of a DNA molecule. Now that I have each omit map as a separate file to display the whole DNA omit map I have to load them in coot one by one. Is there a way of how to combine all this maps into one file and have a single name for label columns so that the whole map will open at once?
I managed to put them all in one file but column labels are separate: FOFCWT_1, PHFOFCWT_1 FOFCWT_2, PHFOFCWT_2...... Can they all go under FOFCWT, PHFOFCWT?
Thank you very much for any suggestion
Mikalai
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Strictly speaking map files don't have column labels, so you are talking about structure factor files. If they were map files, and if the density of each was essentially zero outside its omitted region, you could simply add the maps in mapman. But since the FT is a linear operator, you should get the same result adding structure factors and calculating a map from the (vectorial) sum. perhaps ccp4 icoefl has a mode in which it does not scale but simply outputs the vectorial sum of up to 4 input SF's. Or I think SFtools can add SF's. eab (!!! WARNING : VERY likely this advice is at least partly WRONG!!! otherwise such a simple solution would have been suggested already. Someone correct me if so) Mikalai Lapkouski wrote:
Hello,
I have a following question. I have generated several Fo-Fc sa omit maps (FOFCWT, PHFOFCWT) for different portions of a DNA molecule. Now that I have each omit map as a separate file to display the whole DNA omit map I have to load them in coot one by one. Is there a way of how to combine all this maps into one file and have a single name for label columns so that the whole map will open at once?
I managed to put them all in one file but column labels are separate: FOFCWT_1, PHFOFCWT_1 FOFCWT_2, PHFOFCWT_2...... Can they all go under FOFCWT, PHFOFCWT?
Thank you very much for any suggestion
Mikalai
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if the density of each was essentially zero outside its omitted region
On 09/21/2012 10:16 AM, Edward A. Berry wrote: this is probably wrong unless the model is perfect and have no remaining difference peaks. So one still needs to mask out the non-omitted regions of each map and recalculate map coefficients which can then indeed be simply combined as vectors.
participants (5)
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Edward A. Berry
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Edwin Pozharski
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Mikalai Lapkouski
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Nathaniel Echols
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Randy Read