CIF files: Difference between revisions

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76 bytes added ,  3 May 2014
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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 http://http://grade.globalphasing.org and paste the SMILES
# go to http://http://grade.globalphasing.org and paste the SMILES string
string
# download the CIF-file
# download the CIF-file


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