Zinc15 cleaning: Difference between revisions
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Latest revision as of 00:28, 2 October 2015
Here is how to clean up zinc15
radiolabeled atoms that may have sneaked in:
curl "http://zinc15.docking.org/substances.smi" -F "sub_id-ge=100000000" -F "structure-contains=[11#6]" -F "count=100000"
get rid of abandoned protomers