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This directory contains files which have data usefull for chemists.
It may grow with your cooperation.

DNA_benchmark --- test data for AMBER for DNA

METMOD1 --- molecular mechanical force field and molecular structures developed
	    for modelling of catalytically active tungsten complexes.

MMFF94 --- MMFF94 Validation Suite -- Input and Output data for
           753 molecules.

MMFF94s --- MMFF94s Validation Suite -- Input and Output data for
            235 molecules with delocalized trigonal nitrogen

Protein-spreadsheet -- LOTUS123 spreadsheet program that could handle
            polypeptides given as PDB files

atomic-RHF-wavefunctions --- Roothaan-Hartree-Fock wave functions for He
       through Xe, of numerical accuracy

basis-sets -- Gaussian Basis sets for ab initio and DFT

fullerenes --- coordinates of fullerenes

prime-numbers --- First 100,000 prime numbers
Modified: Sat Apr 24 07:44:21 1999 GMT
Page accessed 22239 times since Sat Apr 17 21:19:39 1999 GMT