Technical Reports

The report FIMU-RS-97-04

An Algorithm on Interpolating between Two Shapes of a Molecule

by Ale¹ Køenek, Accepted for the SCCG`97 in Bratislava. May 1997, 10 pages.

FIMU-RS-97-04. Available as Postscript, PDF.

Abstract:

Conformational behaviour analysis produces a sequence of shapes of a molecule which are only the key points on the entire path. They differ from one another significantly and an interpolation is necessary to achieve a smooth visualization. However, standard interpolation techniques cannot be used. We introduce a hypothesis on the nature of the shape changes and derive an interpolation algorithm. Conditions required for proper function as well as some ideas how to overcome the algorithm`s drawbacks are presented.