Artem Lyubimov wrote:
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Hi everyone,
I'm wondering if there is a program in CCP4 that can calculate
electron density maps on absolute scale. That is, take the value for
F000 estimated by TRUNCATE, insert it into the data file, estimate the
phase and calculate the maps. I found an option in FFT for scaling the
map using F000, but as far as I can tell FFT does not use F000 in the
actual electron density calculation.
Thanks!
Art
It is a long time since I have used it, but there is a bit of code
executed at output which seems to add in the given f000 value taken from
the VF000 keyword
:
DO 50 J = XL,XU
DO 40 I = YZL,YZU
R = (X(I,J,K)+F000)/V
X(I,J,K) = R
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