Hi, I'm puzzled by what you are trying to do. You say you have the original MTZ/MAP files. What have the original files got to do with it? EDSTATS requires the MTZ/MAP file calculated for the supplied model. The documentation states: "... the PDB file and the maps should all be from the same refinement job.". The refinement job referred to could be 0 cycles but the MTZ file must have been calculated from the PDB file supplied. If you have changed the PDB file then the original MTZ/MAP files will no longer be suitable. This means you have to supply exactly the same complete PDB file that you used to run the refinement job.
Cheers -- Ian On 10 June 2014 19:52, George Devaniranjan <devaniran...@gmail.com> wrote: > HI, > > > I want to calculate real-space R factor/RSCC and such parameters using > EDSTATS in CCP4 but only for a selected fragment that has been > extracted and then modified (changed the Phi and Psi) from the native. > > > I have the original MTZ and MAP. > > > Is it even possible to calculate these values without inserting the > extracted fragment back into the rest of the PDB (the unmodified part)? > > > I am reluctant to do that since I have many such fragments I have > extracted and modified and wish to compare with the native. > > > Thank you, > > George >
