Dear Openbabel community, I'm trying to extract all compounds from an sdf file which contain an OH group (phenolic or aliphatic). For this I have tried the following command in my anaconda prompt installation of babel. But I'm not getting the expected result and no molecule is retrieved. I get results using similarity cutoff but these also include compounds with ether linkages which I don't want. Can you please suggest the usage to get the expected result if this is possible in babel?
babel Drugbank-3D-structures.sdf -sOC1=CC=CC=C1 sim-phenol.smi *0 molecules converted* 95585 audit log messages babel Drugbank-3D-structures.fs -ifs -sOC1=CC=CC=C1 sim-phenol.smi -at0.5 23 molecules converted 335 audit log messages Thank you. -- Regards, Dr. Vaibhav A. Dixit, Visiting Scientist at the Manchester Institute of Biotechnology (MIB), The University of Manchester, 131 Princess Street, Manchester M1 7DN, UK. AND Assistant Professor, Department of Pharmacy, ▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄ Birla Institute of Technology and Sciences Pilani (BITS-Pilani), VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031. India. Phone No. +91 1596 255652, Mob. No. +91-7709129400, Email: vaibhav.di...@pilani.bits-pilani.ac.in, vaibhavadi...@gmail.com http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/ ORCID ID: https://orcid.org/0000-0003-4015-2941 http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra P Please consider the environment before printing this e-mail
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