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Figure 6
Data model and definition of the chemical composition of a macromolecular crystal. A crystal is composed of solvent (XSDataSolvent) and biopolymer molecules (XSDataStructure). Basically, a biopolymer is composed of protein/nucleic acid chains (referred to as `type' in the above data model) and ligands. For each chain, information about the number of monomers (amino acids or nucleotides), number of identical chains in the polymer and heavy atoms identification should be provided. For each ligand, information about heavy and light atoms and number of copies of ligand in the molecule should be provided as well.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 16| Part 6| October 2009| Pages 872-879
doi:10.1107/S0909049509036681
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