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Ian Tickle wrote:
1. Who uses the FC/PHIC columns from Refmac?
Me.
2. What do you use them for?
I originally used them for making reference structures for pirate. I
don't use them any more....
3. Does the way you use them require that the disordered solvent
contribution be excluded (as now), or ideally should it be included (as
I would like)?
It should be included. The fact that it is not included was the reason I
stopped using it and wrote 'csfcalc' and 'cmakereference' instead.
4. Finally is there an alternative way of getting the total Fcalc for
the entire model (within CCP4 & preferably using FFT - I'm aware other
packages can do this).
'csfcalc'. This does pretty much what zero cycles of refmac does, and
gets pretty much identical results, *except* that it doesn't do an
anisotropy correction. I'll fix that one day.
