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A crystallographic molecular lattice builder applied to model lipid bilayers
1Center for Biomolecular Science and Engineering, Naval Research Laboratory, Washington, DC 20375.
Journal of Molecular Graphics
|March 1, 1992
Summary
BILAYER BUILDER generates 3D crystal structure models from unit cell coordinates, aiding noncrystallographers in visualizing molecular interactions and conformations, especially for lipid crystals.
Area of Science:
- Crystallography
- Molecular modeling
- Materials science
Background:
- Noncrystallographers often need to visualize 3D crystal structures.
- Visualizing small-molecule crystals, like lipid crystals, is crucial for understanding molecular interactions and conformations.
Purpose of the Study:
- To develop a program for generating graphical models of crystal structures.
- To enable users to examine model crystal structures on desktop computers.
Main Methods:
- The program, BILAYER BUILDER, generates crystal structure portions from single unit cell coordinates.
- It utilizes molecular graphics display programs for visualization.
- Crystal coordinates are stored in Brookhaven Protein Data Bank file format.
Main Results:
- BILAYER BUILDER allows users to create and examine 3D crystal structure models.
- The program is compatible with small desktop computers like the Apple Macintosh.
- Generated data is stored in a widely compatible format (Brookhaven Protein Data Bank).
Conclusions:
- BILAYER BUILDER provides a user-friendly method for visualizing molecular crystals.
- The software facilitates the study of molecular conformations and interactions within crystal structures.
- It is applicable to various molecular crystals beyond its initial focus on lipids.