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[ccp4bb]: bulk solvent corrected fo-fc map?
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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?
Dept. of Biochemistry