I am trying to find an easy to use tool to add hydrogen atoms to molecules in pdbqt format to carbon atoms only as I do not want to change the tautomeric state of the molecules, I tried rdkit, obabel, chimera but every tool I tried will add hydrogen to the entire molecule not carbon atoms only? Any suggestion?
Sorry, there is no Chimera tool to do that. Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Apr 27, 2020, at 10:37 PM, Marawan Hussien <marawanhussain@yahoo.com> wrote:
I am trying to find an easy to use tool to add hydrogen atoms to molecules in pdbqt format to carbon atoms only as I do not want to change the tautomeric state of the molecules, I tried rdkit, obabel, chimera but every tool I tried will add hydrogen to the entire molecule not carbon atoms only? Any suggestion?
participants (2)
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Elaine Meng -
Marawan Hussien