Hi team (and support), I have found that when I “get a pdb” file or use a .cif file with the latest versions (3.1) and then add hydrogens, it behaves differently to previously where the amines and acids are not ionised (should be ammonium/guanidinuim and carboxylate).
But it does it with some and not others… e.g. 7LCJ vs 1D4K Hoping someone can confirm this and if there is a fix? Cheers J [University of Otago] Professor Joel Tyndall BSc(Hons) PhD School of Pharmacy | He Rau Kawakawa University of Otago | Ōtākou Whakaihu Waka Mobile/Waea pūkoro +64 21 051 0940 Dunedin | Ōtepoti PO Box 56, Dunedin 9054 New Zealand | Aotearoa
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