it sounds great. just one question: can we have both rigid body hierarchy and molecular hierarchy defined at the same time?
On Tue, Dec 9, 2008 at 4:21 PM, Daniel Russel drussel@gmail.com wrote: > There is now some code to use SingletonModifiers and a ScoreState and > ParticleRefiners to, for example, make sure that each residue defines a > sphere which contains all its atoms and that derivatives are propagated > properly. Such would probably also make a good model for rigid bodies as all > we would have to write would be four very simple classes: > - a RigidBodyDecorator which inherits from XYZDecorator and adds a > quaternion > - a RigidBodyComponentDecorator which inherits from XYZDecorator and adds a > set of coordinates relative to its original frame > - a TorquesFromRefinedSingletonModifier (like > DerivativesFromRefinedSingletonModifier) which uses the derivatives of the > particles produced by a particle refiner to apply torques to a rigid body > - a TransformComponentsSingletonModifier which applies the transform in a > RigidBodyDecorator particle to each of the RigidBodyComponentDecorator > particles produced by a particle refiner > > Then they could be tied together just as in the residue cover example and > the rigid bodies could be trivially defined through a molecular hierarchy or > any other particle refiner you want to use. > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev >