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 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.
Kisljuk
O S
OS
Institute of Mathematical Problems in Biology, Russian Academy of Sciences, Pushchino.
Kachalova
G S
GS
Lanina
N P
NP
D000465:Algorithms; D003460:Crystallization; D011487:Protein Conformation; D012984:Software