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A program for generation and selection of possible conformations of cyclic molecules

✍ Scribed by J. Dirkx; M. Knappenberg; P. Dufour

Publisher
Elsevier Science
Year
1979
Weight
372 KB
Volume
9
Category
Article
ISSN
0010-468X

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✦ Synopsis

An algorithm has been developped for the computer generation of the possible conformations of non-planar cyclic molecules. This algorithm has been used successfully to select the known conformations of the ribose ring, of substituted cyclohexane and of disulfide bridged peptides. Its use may be extended to open molecules when the end-to-end distance is known or imposed.

Molecular geometry

Cyclic conformations Atomic coordinates Molecular cyclization

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