Hi Joe, do you want to calculate rms deviations between two sets of coordinates that are originating from two PDB files?
If my guess is correct, then you can get this number using the command below: phenix.superpose_pdbs file1.pdb file2.pdb which will superpose two sets of coordinates and print RMS deviations before and after superposition, like this: RMSD between fixed and moving atoms (start): 0.575 RMSD between fixed and moving atoms (final): 0.563 Is this is what you want? Good luck! Pavel. On 8/2/10 9:59 PM, Joe Yap wrote: > Dear CCP4 users, > > I have two sets of coordinates that are of similar structure and I > would like to know is there a program I can use to calculate the > coordinate errors between these two sets of coordinates? > > I would appreciate it if you can help me with this. > > Thank you so much. > > Best regards, > > Joe Yap
