Journal of Applied Crystallography

Volume 29, Part 5 (October 1996)


computer programs



J. Appl. Cryst. (1996). 29, 594-597    [ doi:10.1107/S0021889896004724 ]

Visualization of macromolecular crystal packing using Virtual Reality Modelling Language (VRML)

T. Y. Fu and Y. W. Chen

Abstract: A program (XPACK.PL) written in Perl that transforms Brookhaven Protein Data Bank structure files into three-dimensional crystal-packing Virtual Reality Modelling Language (VRML) world files has been developed. The resulting VRML scene consists of macromolecules in various symmetry-equivalent positions and the crystallographic unit cell. With a VRML browser program, such as Webspace, the user can sail into the virtual crystal-packing world and examine molecular packing interactively. The major advantages of the program are that it is fast, portable and easy to use. The three-dimensional packing models generated by the program are portable and suitable for information interchange over the Internet.

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