Hello,
I have been using do_global_fitting function to fit a PDB into an EM map.
I'm getting tons of warnings in the stdout such as :
WARNING particle:Atom C of residue 52 is not interpolated
WARNING particle:Atom O of residue 52 is not interpolated
WARNING particle:Atom N of residue 53 is not interpolated
WARNING particle:Atom C of residue 40 is not interpolated
WARNING particle:Atom O of residue 40 is not interpolated
WARNING particle:Atom N of residue 41 is not interpolated
WARNING particle:Atom CA of residue 41 is not interpolated
According to my understanding this means that the PDB is located outside the
bounding box of the EM-file - is that true?
Hows does the algorithm decide with which respective translations to test the fitting?
Why doesn't the algorithm just move the the protein's center of mass to the center of the EM
file, before starting the processing? Should I do that manually?
Thank you,
Dany