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Pure Parameters and Topology Files for Crystallography |
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THE PURY DATABASE AND SERVER OF GEOMETRIC RESTRAINS OF HETERO
COMPOUNDS FOR USE IN REFINEMENT OF MACROMOLECULAR STRUCTURES.
THE SERVER READS A DESCRIPTION OF A SUBMITED MOLECULE, ASSIGNS ATOM TYPES TAKING INTO ACCOUNT
THE LOCAL GEOMETRY AND
GENERATES MOLECULAR TOPOLOGY ENTRY AND CORRESPONDING PARAMETER LIST, BASED ON
STORED PARAMETER DATABASE, FOR
REFINEMENT AND ENERGY CALCULATIONS. CURRENT RELEASE IS BASED ON OVER 300000 MOLECULES FROM CSD V5.30. Miha Andrejašič     |
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