An algorithm to find channels and cavities within protein crystals

An algorithm to find channels and cavities within protein crystals

We have written a package called CHANNEL for determining and analyzing the channels and cavities within protein crystals. By using CHANNEL, the intermolecular space within a crystal lattice can be divided into closed cavities and channels. This package is certainly useful in determining the channel...

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Veröffentlicht in:Journal of molecular graphics 1994, Vol.12 (4), p.305-307
Hauptverfasser: Kisljuk, Oleg S., Kachalova, Galina S., Lanina, Nadejda Ph
Format: Artikel
Sprache:eng
Schlagworte:
Algorithms
cavities
channel
Crystallization
Protein Conformation
protein crystal
Software
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Beschreibung
Zusammenfassung:We have written a package called CHANNEL for determining and analyzing the channels and cavities within protein crystals. By using CHANNEL, the intermolecular space within a crystal lattice can be divided into closed cavities and channels. This package is certainly useful in determining the channel topological structure and quantitative characteristics. The package allows also the volume, and maximal and minimal areas of channels along a required direction to be calculated.
ISSN:0263-7855
DOI:10.1016/0263-7855(94)80110-X