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A mathematical procedure for superimposing atomic coordinates of proteins
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1972
Year
Mathematical ProgrammingEngineeringProtein AssemblyGeometryMolecular BiologyMeasured Atomic CoordinatesComputer-aided DesignStructural OptimizationComputational MechanicsEnergy MinimizationGeometric Constraint SolvingProtein FoldingKinematicsBest Rigid-body RotationComputational GeometryComputational AnatomyBiophysicsGeometry ProcessingGeometric ModelingGuide CoordinatesProtein ModelingProtein Structure PredictionComputer ScienceAtomic CoordinatesStructural BiologyNatural SciencesClassical Mechanic
A procedure is given which determines the best rigid-body rotation and translation that matches a given set of measured atomic coordinates to a fixed set of guide coordinates and minimizes the weighted sum of squared deviations.