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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).
The text was updated successfully, but these errors were encountered:
IMP.core.TransformationSymmetry
is anIMP.SingletonModifier
that updates a list ofIMP.core.XYZ
,IMP.core.NonRigidMember
andIMP.core.RigidBody
coordinates/reference frames according to a list of reference particles.A complementary
IMP.SingletonDerivativeModifier
with the proposed nameTransformationSymmetryDerivatives
should propagate the derivatives from the transformed particles back to the reference particles. This will enable gradient-based optimization such as molecular dynamics (#790).The text was updated successfully, but these errors were encountered: