unit_cell_skew (
        alpha,
        beta,
        gamma,
        )

Angle arguments must be in radians.

unit_cell_axes (
        a,
        b,
        c,
        alpha,
        beta,
        gamma,
        )

Angle arguments must be in radians.

cryst1_pdb_record ( pdb_headers )

cell_center (
        grid_origin,
        axes,
        interior_point,
        )

Find center of cell in unit cell grid containing specified point.

pdb_cryst1_symmetry_matrices ( cryst1_line )

space_group_matrices (
        space_group,
        a,
        b,
        c,
        alpha,
        beta,
        gamma,
        )

Angle arguments must be in radians.

crystal_parameters ( pdb_headers )

pdb_space_group_matrices ( pdb_headers )

pdb_cryst1_parameters ( cryst1_line )

cell_origin (
        grid_origin,
        axes,
        interior_point,
        )

Compute the corner position of unit cell containing a specified point. The grid_origin is specified in crystallographic coords (ie the axes basis).

crystal_symmetry_matrices ( pdb_headers )

Use SMTRY matrices if available, otherwise use space group matrices.

unit_cell_to_xyz_matrix (
        a,
        b,
        c,
        alpha,
        beta,
        gamma,
        )

Angle arguments must be in radians.

pdb_3x3x3_unit_cell_matrices ( pdb_headers )

close_packing_matrices (
        tflist,
        ref_point,
        center,
        a,
        b,
        c,
        alpha,
        beta,
        gamma,
        )

pack_matrices (
        pdb_headers,
        grid_origin,
        ref_point,
        tflist,
        )

Return a list of symmetry matrices by adding translations to tflist matrices so that they map ref_point into the unit cell box containing ref_point. The origin of the unit cell grid is given by grid_origin.

pdb_unit_cell_axes ( pdb_headers )

pdb_unit_cell_matrices ( pdb_headers )

To get all the transformations needed to build the unit cell, multiply all SMTRY (crystallographic symmetry) matrices by all MTRIX (non-crystallographic symmetry) matrices.