[MMTK] point group symmetry

Konrad Hinsen hinsen@cnrs-orleans.fr
05 Jun 2002 17:42:46 +0200


Margot Ernst <margot.ernst@univie.ac.at> writes:

> the 1999 proteins article or something is strange. I understand that if the 
> boxes are chosen without considering symmetry, slight violations of symmetry 
> are to be expected. But not to see any symmetry at all? 

As long as the subunits are significantly larges than one cubic
element (on average 6 atoms), any symmetry of the molecule should be
preserved in the domain assignments, provided that all of a set of
(almost) degenerate modes were used in the analysis. In all
calculations that I have done myself (around 50 proteins), this was
always the case.

Konrad.
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