HappyDoc Generated Documentation ./PDBmatrices/crystal.py

. / PDBmatrices / crystal.py 

Functions   
  cryst1_pdb_record 
cryst1_pdb_record ( pdb_headers )
  pdb_cryst1_symmetry_matrices 
pdb_cryst1_symmetry_matrices ( cryst1_line )
  space_group_matrices 
space_group_matrices (
        space_group,
        a,
        b,
        c,
        alpha,
        beta,
        gamma,
        )

Angle arguments must be in radians.

  crystal_parameters 
crystal_parameters ( pdb_headers )
  pdb_space_group_matrices 
pdb_space_group_matrices ( pdb_headers )
  pdb_cryst1_parameters 
pdb_cryst1_parameters ( cryst1_line )
  crystal_symmetry_matrices 
crystal_symmetry_matrices ( pdb_headers )

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

  pdb_3x3x3_unit_cell_matrices 
pdb_3x3x3_unit_cell_matrices ( pdb_headers )
  pack_matrices 
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_unit_cell_axes ( pdb_headers )
  pdb_unit_cell_matrices 
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.

Classes   

This document was automatically generated Wed Jul 9 15:49:02 2008 by HappyDoc version 3.1