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Features and their derivatives
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Methods
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Optimizers
Contents
Index
Equations used in the derivation of the molecular pdf
Subsections
Features and their derivatives
Distance
Angle
Dihedral angle
Atomic solvent accessibility
Atomic density
Atomic coordinates
Restraints and their derivatives
Single Gaussian restraint
Multiple Gaussian restraint
Multiple binormal restraint
Lower bound
Upper bound
Cosine restraint
Coulomb restraint
Lennard-Jones restraint
Spline restraint
Symmetry restraint
Ben Webb 2008-05-05
