>I've been using an incremental growing and shrinking algorithm (within
>GRASP if you must know) in order to smooth out a jagged and discontinuous
>surface patch. It's all pretty common sense really: you just grow your
>patch by 1 angstrom 5 times, and then shrink it 5 times by 1 angstrom and
>hey presto it works.
>>My major problem is finding a reference to this concept. Can you help?
The reference you are looking for may be:
J.S. Delaney "Finding and filling protein cavities using cellular logic
operations" J. Mol. Graphics, 1992, 10, pp.174-177.
Dr. Andrey Bliznyuk
Computational Molecular Biology and Drug Design Group
Division of Molecular Biology and Biochemistry
John Curtin School of Medical Research
Australian National University
PO Box 334, Canberra, ACT 2601
Email: Andrey.Bliznyuk at anu.edu.auhttp://biocomp.anu.edu.au/~aab