Does anyone know if Refmac includes riding hydrogens in rmsd
calculation? Because if it does, then the rmsd will indeed be lower for
Refmac, since these bonds are kept at ideal length.
Ed.
john kryst wrote:
> Hi ccp4bb !!!
>
> Does the rmsd estimation (for eg. rmsd_bonds ) depends on the program
> we use ??
>
> Example : shifting from Refmac to CNS. There appears to be an increase
> in rmsd of bonds even without refining the structure in CNS. Is the
> estimation methods are different or am i doing something wrong !!
>
> Thanks for your valuable inputs.
>
> regards
> john
--
Edwin Pozharski, PhD, Assistant Professor
University of Maryland, Baltimore
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When the Way is forgotten duty and justice appear;
Then knowledge and wisdom are born along with hypocrisy.
When harmonious relationships dissolve then respect and devotion arise;
When a nation falls to chaos then loyalty and patriotism are born.
------------------------------ / Lao Tse /
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