Molecular dynamics simulation method and apparatus

Details Molecular dynamics simulation method and apparatus Molecular dynamics simulation method and apparatus

1992-11-25

1995-06-13

Ramirez, Ellis B.

Boots, shoes, and leggings

364499, G06F 1560

Patent

active

054249635

ABSTRACT:
A computer-assisted method for generating a dynamic model of a molecule is described based on information of the atomic structure. The model data is defined by rigid bodies corresponding to groups of atoms of the molecule with substantially no relative movement between the atoms, flexible bodies corresponding to groups of atoms which are characterized by relative movement between the atoms, and flexure elements which define an interconnection of two of the rigid bodies and the flexible bodies and predetermined degrees of freedom.

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