[phenixbb] rmsd: phenix vs refmac

Frank von Delft frank.vondelft at sgc.ox.ac.uk
Mon Dec 15 18:21:51 PST 2008


I thought that a while ago, I read somewhere that rmsd(bonds) had not 
been calculated the same way in phenix as in refmac.  I believe it was 
in connection with automated weights, and that rmsd(bonds) always much 
lower in phenix.

I understood too that this had been adjusted since to match refmac.

But we're still seeing some much lower rmsd(bond) from phenix:  in 
particular, when we take a refmac model and plug it straight into 
phenix, the rmsd for cycle zero is already much lower than what it was 
at the end of refmac.

Could someone enlighten...?  (Yup, latest version of phenix.)


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