On Tue, Oct 4, 2011 at 7:14 PM, <bkziervo...@uchicago.edu> wrote: > Hi Adam and Ian, > > Thanks for your help. If I re-calculate the R-factors with the correct > absolute values I get more reasonable values. However, I'm still a bit > confused because the output given by the Overlapmap program is structure > factor values, which are used to calculate the real-space R-factors. Should > this not be Rho values instead? Additionally, a lot of my structure > factors, even for the protein, which I know fits well within the > experimental density, are 0 for the sidechains or negative. Any idea what's > going on here? I've attached some sample data from the Overlapmap output > file. Thanks in advance. > > Brigitte > > >
Hi Brigitte Yes I agree with you that the output is very confusing! I don't know exactly what 'Fobs' & 'Fcalc' are but I'm pretty sure they can't be structure factors. I would guess that 'F' is actually rho (i.e. rho calculated by FFT from F). According to the man page overlapmap only inputs & outputs maps: nowhere does it mention reading or writing SFs. Very confusing! Also why the values are small or negative, I've no idea as I've never used overlapmap. I would keep posting to the BB in the hope that someone can solve your problem. Cheers -- Ian
