[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[ccp4bb]: Summary: REFMAC: anisotrop/isotrop; FFTBIG error at high resolution
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html ***
> REFMAC:
> 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.
.......Sorry!
> 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
> <!--SUMMARY_BEGIN-->
> 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.
Regards
Joerg
--
Joerg Mueller Department of Biochemistry
Phone +49-221-4706443 University of Cologne
6455 Zuelpicher Strasse 47
Fax +49-221-4705092 D-50674 Koeln