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CIF files: Difference between revisions
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Corrected grade server HTTP link
(Created page with "CIF files are needed for refinement (e.g. refmac, phenix.refine, buster) and visualization programs (e.g. coot) to describe the topology and parameters of liga...") |
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== Use the [[Grade]] server == | == Use the [[Grade]] server == | ||
# go to en.wikipedia.org and enter your ligand's name, e.g. Dibenzothiophene | # go to en.wikipedia.org and enter your ligand's name, e.g. Dibenzothiophene | ||
# copy the SMILES string provided for many small molecules in Wikipedia | # 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 | # go to http://grade.globalphasing.org and paste the SMILES string | ||
string | |||
# download the CIF-file | # download the CIF-file | ||
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== Use the PRODRG server == | == Use the PRODRG server == | ||
http://davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg | http://davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg - see [[Servers for ligand topologies/parameters]] | ||