Hi Pascal, Map sharpening is essentially equivalent to multiplying Fourier map coefficients by exp(-Bsharp*s**2/4), where Bsharp is a determined sharpening B value. Additionally, map sharpening can be viewed as subtracting Bsharp from individual atomic B factors (when refining ADPs against such a map). If some atoms have B values less than or equal to Bsharp, this implies that their refined B can be zero or even negative. Thus, the fact that you are obtaining negative B values reflects a property of your map. I believe that manually adjusting these B values is quite inappropriate for a model that you about to deposit. All the best, Pavel On 10/16/25 00:29, [email protected] wrote:
Hi,
I have a large structure for which I just want to update B-factors. Unfortunately, I get zero values for some B-factors.
Basically, I modified coordinates of a PDB deposited file and used the deposited cry-EM map. Is there something in the header (present or missing) that could influence the outcome of such a calculation ?
Thanks,
Pascal _______________________________________________ phenixbb mailing list -- [email protected] To unsubscribe send an email to [email protected] Unsubscribe: phenixbb-leave@%(host_name)s