[ccp4bb]: bulk solvent corrected fo-fc map?

[Mark DePristo <mdepristo@cryst.bioc.cam.ac.uk>]

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Hi,

I've been struggling to create reasonable fo-fc maps with CCP4.  The 
fo-fc maps created directly with xfit in xtalview are very nice, 
clearly highlighting poorly placed sidechain atoms on the protein 
surface.  However, the fo-fc maps calculated with CCP4's fft from the 
equivalent mtz FP, FC, and PHIC are poor and impossible to interpret.  
Interestingly, the xfit fo-fc maps are very similar to the CCP4 maps 
when xfit's fft the bulk solvent correction is disabled.

I'd love to enable bulk solvent correction in my CCP4 maps calculated 
by fft, but I've been unable to figure out how to do this.  I've tried 
the DELFT and PHDELFT labels output by refmac, but these maps are also 
poor.  Is there any way to produce bulk solvent corrected difference 
maps from the command line in CCP4?

Thanks,

Mark

Mark DePristo
Ph.D. Candidate
Dept. of Biochemistry
Cambridge University
mdepristo@cryst.bioc.cam.ac.uk
http://www-cryst.bioc.cam.ac.uk/~mdepristo/