By the way, I used this one recently:
http://zhang.bioinformatics.ku.edu/TM-score/ It computes a lot of scores: TM-score, MaxSub-score, GDT-TS-score and GDT-HA-score. All of this with a single Fortran file (so nothing more needed except a Fortran compiler), I was impressed. Regards, F. Pavel Afonine wrote: > 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 >
