Hello sir/mam I hope You are doing well I am writing this mail, as I am facing certain problem with doing the similarity search using "Openbable" I have a zinc dataset for lead like and drug like molecules. Unfortunately I am not able to go with structure based docking for the complete dataset. Similar like zinc dataset I have some more dataset and I want to further proceed with tanimoto similarity search first to filter and reduce the dataset for my virtual screening and docking. Now here when I am taking my reference structure (smilies) for similarity search using command *"babel mymols.fs results.sdf -sCC1=CC=C(C=C1)C2=C(C=C(C=C2)F)COC3=CC=C(C=C3)CCC(=O)O -at0.6"* So I want why I am getting a syntex error and when I am taking same smilie code mentioned in your website it is giving. Is there any problem with my smilie code or I am doing something wrong? Kindly, provide the needful assistance for the mentioned issue. Thank You
Suyash Pant Research Scholar, NIPER, Kolkata Department of Pharmacoinformatics
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