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[ccp4bb]: Summary: REFMAC: anisotrop/isotrop; FFTBIG error at high resolution

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> Is there a possibility to refine a part of the B factors in my structure
> anisotropic (for example the protein atoms) and an other part isotropic
> (for example the cosubstrate)?

Robert A. Steiner:
yes it's possible if you  use MIXED mode. For more info read the
relative docunmentation in CCP4.

> FFTBIG (version 4.0):
> When I try to calculate the electron densities at resolution better than
> 1.00 A, I get the following error message:
> Note  1 fatal error messages above
>  FFTBIG:   * FFTBIG:   ** Fatal error in input **
> Exactly the same script works fine up to 1.00 A resolution!

We (with the help of Jan) could fix the by defining a new GRID.
Alternatively one can use the SAMPLE card.


Joerg Mueller                 Department of Biochemistry
Phone +49-221-4706443         University of Cologne
                 6455         Zuelpicher Strasse 47
Fax   +49-221-4705092         D-50674 Koeln