An algorithm for converting a virtual-bond chain into a complete polypeptide backbone chain
- 1 January 1991
- journal article
- Published by Springer Nature in Journal of Mathematical Chemistry
- Vol. 8 (1) , 217-227
- https://doi.org/10.1007/bf01166938
Abstract
A systematic analysis is presented of the algorithm for convering a virtual-bond chain, defined by the coordinates of theα-carbons of a given protein, into a complete polypeptide backbone. An alternative algorithm, based upon the same set of geometric parameters used in the Purisima-Scheraga algorithm [1] but with a different “linkage map” of the algorithmic procedures, is proposed. The global virtual-bond chain geometric constraints are more easily separable from the loal peptide geometric and energetic constraints derived from, for example. the Ramachandran criterion [2, 3], within the framework of this approach.Keywords
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