rcsb / symmetry

:ferris_wheel: Detect, analyze, and visualize protein symmetry
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New DS to store Symmetry Axes, used to constrain Optimization #58

Closed lafita closed 9 years ago

lafita commented 9 years ago

The Data Structure stores all the symmetry axes of the structure and the subunits that participate on each of them.

This allows the optimization to constrain the superposition of the subunits following the symmetry axes, which has less degrees of freedom than the free superposition.

Development still needs to be made in identifying the subset of axis that define the global symmetry once the subunits are known.