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From CCP4 wiki

CIF files

7 bytes removed, 28 April
Corrected grade server HTTP link
# go to and enter your ligand's name, e.g. Dibenzothiophene
# copy the SMILES string provided for many small molecules in Wikipedia (of course there are many other sites where you could find SMILES strings!)
# go to http:// and paste the SMILES string
# download the CIF-file

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