Re: [phenixbb] rmsd: phenix vs refmac

Hi Frank,

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.)

I have no idea about why they are different. I would approach this by taking a three-atoms test molecule, measure all bond lengths with a ruler (and calculate corresponding rmsd's) and then put this molecule into phenix.refine and refmac and see what they output. Do you have such example? Pavel.