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Build a simple map using model_map.inp

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  • ryan_jocelyn1980
    Hi, I want to use model_map.inp to perform a very simple Fo map calculation (experimental Fo and sigma, phase calculated from the provided pdb, exclude
    Message 1 of 2 , Apr 30, 2010
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      Hi,

      I want to use model_map.inp to perform a very simple Fo map calculation (experimental Fo and sigma, phase calculated from the provided pdb, exclude solvent, no Fo scaling or weighting, no B sharpening). However, the generated map is notably different from the map calculated using other softwares such as phenix or refmac. I wonder whether model_map.inp implicitly incurred some scaling or weighting, and how can I clear them to get a map matching eg phenix or refmac generated maps.
    • Ed Pozharski
      ... Maps calculated by different programs will never be exactly identical. Refmac does not calculate a simple Fo map , afaik. Phenix has a script to
      Message 2 of 2 , May 3, 2010
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        On Fri, 2010-04-30 at 22:02 +0000, ryan_jocelyn1980 wrote:
        > I want to use model_map.inp to perform a very simple Fo map
        > calculation (experimental Fo and sigma, phase calculated from the
        > provided pdb, exclude solvent, no Fo scaling or weighting, no B
        > sharpening). However, the generated map is notably different from the
        > map calculated using other softwares such as phenix or refmac. I
        > wonder whether model_map.inp implicitly incurred some scaling or
        > weighting, and how can I clear them to get a map matching eg phenix or
        > refmac generated maps.
        >

        Maps calculated by different programs will never be exactly identical.
        Refmac does not calculate a "simple Fo map", afaik. Phenix has a script
        to calculate Fc, which may provide a more meaningful comparison between
        programs (model_fcalc.inp) would do that.



        --
        "I'd sacrifice myself, but I'm too good at whistling."
        Julian, King of Lemurs
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