BioSimSpace.Box¶
The Box package contains tools for generating parameters for different simulation boxes. This is particularly useful when needing box magnitudes and angles for generating BioSimSpace.Solvent boxes.
Functions¶
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Return a list of the supported box types. |
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Generate parameters for the named box type with specified image distance. |
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Generate parameters for a cubic box. |
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Generate parameters for a square rhombic dodecahedron. |
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Generate parameters for a hexagonal rhombic dodecahedron. |
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Generate parameters for a truncated octahedron. |
Examples
Generate the lattice vectors and angles for a truncated octahedron of 10 nanometer lattice separation.
import BioSimSpace as BSS
box, angles = BSS.Box.truncatedOctahedron(10 * BSS.Units.Length.nanometer)