Re: [Rdkit-discuss] Removing hydrogen atoms without neighbors
Open-Source Cheminformatics and Machine Learning
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From: Adelene L. <ade...@un...> - 2021-01-21 12:51:27
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Hi Navid, Could you give an example? Are you trying to remove disconnected H-atoms from the mol object? A Doctoral Researcher Environmental Cheminformatics UNIVERSITÉ DU LUXEMBOURG Campus Belval | Luxembourg Centre for Systems Biomedicine 6, avenue du Swing, L-4367 Belvaux T +356 46 66 44 67 18 [github.png] adelenelai ________________________________ From: Navid Shervani-Tabar <ns...@gm...> Sent: 20 January 2021 17:36:14 To: RDKit Discuss Subject: [Rdkit-discuss] Removing hydrogen atoms without neighbors Dear all, I was wondering if there is a function to remove "hydrogen atoms without neighbors" from the mol object. Thanks! Regards, Navid |