 |
 |
Hi Thiyagarajan, the latest version of PHENIX has a command line tool called "phenix.real_space_correlation", that for each atom or residue computes: - map CC (where a user can define any map types, the default: 2mFo-DFc and Fc maps), - 2mFo-DFc map value at atom center, - mFo-DFc map value at atom center. Please let me know if you have question, Pavel. On 4/20/09 3:47 AM, S. Thiyagarajan wrote: > Dear CCP4 users > > Is there any easy way of calculating the peak height / number of > electrons at a given position, say a mouse click point in coot. > > Is there any formula to calculate the number of electrons based on > sigma level and peak height, as given in difference map peaks in coot. > > I have some peaks in my map which take water or sodium/magnesium or > chlorine atom with out giving out any positive or negative density > upon further refinement. > > The asymmetric unit has about 425 residues and the data resolution is > 1.5A. > > Thanks and regards > > S. Thiyagarajan > Department of Cell and Organism Biology > Lund University > Sölvegatan 35 > Lund, Sweden > >