Hi folks,
Is pymol able to protonate an amine e.g. morphine i.e. when you add hydrogens
to a small molecule, ensure that the amine is charged (at it would be at
physiological pH?
I have not been able to do it using the GUI.
Cheers
Joel
Joel Tyndall | BSc(Hons) PhD
Associate Professor in Medicinal Chemistry
School of Pharmacy | Te Kura Mātauraka Wai-whakaora
University of Otago | Te Whare Wānanga o Otāgo
PO Box 56 9054
Dunedin | Ōtepoti
New Zealand | Aotearoa
Ph: 64 3 479 7293
Skype: jtyndall
Website | pharmacy.otago.ac.nz
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