IMP.core.TransformationSymmetry is an IMP.SingletonModifier that updates a list of IMP.core.XYZ, IMP.core.NonRigidMember and IMP.core.RigidBody coordinates/reference frames according to a list of reference particles.
A complementary IMP.SingletonDerivativeModifier with the proposed name TransformationSymmetryDerivatives should propagate the derivatives from the transformed particles back to the reference particles. This will enable gradient-based optimization such as molecular dynamics (#790).
IMP.core.TransformationSymmetryis anIMP.SingletonModifierthat updates a list ofIMP.core.XYZ,IMP.core.NonRigidMemberandIMP.core.RigidBodycoordinates/reference frames according to a list of reference particles.A complementary
IMP.SingletonDerivativeModifierwith the proposed nameTransformationSymmetryDerivativesshould propagate the derivatives from the transformed particles back to the reference particles. This will enable gradient-based optimization such as molecular dynamics (#790).