Molecular design support system

Details Molecular design support system Molecular design support system

1996-05-22

1996-11-05

Voeltz, Emanuel T.

Boots, shoes, and leggings

364578, G06F 1750, G06F 1900

Patent

active

055724396

ABSTRACT:
A molecular design support system comprises a display device, a database for storing information about atoms forming a molecule in terms of atomic component information, and a processing unit for manipulating the atomic component information to assemble a molecular structure in terms of the atomic components. The atomic component information in turn comprises atomic data and bond data, wherein the atomic data comprises: identification data for identifying the atom forming the atomic component; the coordinate of the foregoing atom; the number of the orbitals associated to the atom; and the coordinate showing the position of free end of the orbital included in the atomic component. Bond data comprises: identification data for identifying the atom that is bonded to the free end of the orbital in the atomic component; identification data for identifying the orbital associated with the atom that is bonded to the foregoing free end; and identification data for identifying the bond order of a bond that is established between the atom forming said atomic component and the atom that is attached to the free end.

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