[PyMOL] Add hydrogens different with .cif files

[Joel T. <joe...@ot...>]

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