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Envelope Structure Factors

Performs structure factor calculation from an input (formatted) map using sfall (CCP4) and mapman (USF) (see Documents).


Your email adress: (Recommended, for notification)


Job title: (Only alphanumerical characters)


Unit cell parameters:
- -

- -

Space group number (1 for P1, 19 for P2(1)2(1)2(1)...):


File with observed electron density map (formatted)


Format of observed electron density map (EZD, CNS, DSN6, CCP4...)
If you have a CCP4 map, you can invert it directly with CCP4 (see sfall in Documents)
The sectioning is supposed to be Z, X, Y (sections of Y)


Sampling of the map: number of grid points along a, b, c...
Warning: they should all be EVEN integer numbers! They should NOT be a multiple of a PRIME number larger than 19!
This should also be compatible with your input map...
Use mapman to just read the header of the map, if you are unsure of this.
Please do NOT submit a job if these conditions are not satisfied or if you don't understand these rules!

-- --

Lowest & highest resolution to use (Ångström):
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Input data formats

  • The job title is just for your own identification, but note that it will show up in the public job queue (but your results will not be public).

  • The map should contain a complete asymmetric unit, as specified in the CCP4 documentation of sfall. For P1, the limits should be 0, NA-1 ; 0, NB-1; 0, NC-1 where NA, NB and NC are the number of grid points along a, b, c.

  • NA, NB, NC should not contain among their factors a PRIME number larger than 19; they should be EVEN numbers.
    The sectioning in P1 is supposed to be Z, X, Y. See the sfall full documentation on line.



  Marc Delarue http://lorentz.dynstr.pasteur.fr
Page last modified 16:58 May 01, 2017.