[phenixbb] Low rmsd values
pafonine at lbl.gov
Wed Mar 23 14:46:41 PDT 2011
>> I have rmsd of 0.003 Å for bonds and 0.67 for angles, with
>> R/Rfree of 0.148/0.176.
> The "right" value of the bonds rmsd is a matter of debate (vigorous at
> times), but 0.003A to me indicates a bit of over-restraining. You may
> want to take a closer look at how shallow the Rfree dependence on
> restraint weights is (this info should be easy to extract from
> log-files). Maybe you don't need to go all the way to 0.003 to get most
> of the Rfree drop.
yes, we should probably make the weight optimization procedure to
account for this... It's been a while since reviwed that code last time.
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