I suggest this interface, since it is better defined:
IMPATOMEXPORT Float rmsd(const XYZs& m1 ,const XYZs& m2);
On Thu, Jul 9, 2009 at 3:31 PM, Daniel Russel<> wrote:
> 2009/7/9 Javier Ángel Velázquez Muriel <>:
>> It does not matter. rmsd is going to give you a number no matter if the
>> molecules are aligned or not. The thing is how you interpret the number, so
>> discussing about alignment does not apply for implementation, only for
>> interpretation. Correspondence does apply. If not addressed, fine with me :)
> Sure. But for the API, all we really care about is interpretation :-)
> I think the name had better make clear which interpretation is
> correct.
> _______________________________________________
> IMP-dev mailing list
>
> https://salilab.org/mailman/listinfo/imp-dev
>