Trying to calculate a difference map from a dataset downloaded from the RCSB and one I have. The following applies:
Object find the difference between two bound ligands of the same structure in the same space group. My following work path has been: 1) Convert mmCIF to mtz (RCSB data set) 2) Use CAD to combine them 3) Use FFT to generate the diff map If I remember correctly, I think I am missing a scaling step somewhere. Any thoughts? Scott -- Scott D. Pegan, Ph.D. Assistant Professor Chemistry & Biochemistry University of Denver Office: 303 871 2533 Fax: 303 871 2254
