Greetings, I want to write a script that will read a protein-ligand complex, will find all residues with alternative protonation states within a radius from the ligand, and will write to separate pdb files all combinations of alternative protonations or the protein's binding site. Is this possible in Chimera? I saw at the documentation of addh command that there is not a way to specify explicitly which residues to protonate and how (e.g. I can protonate all ASP to ASH but not ASP34 to ASH34 and keep ASP52 as it is). Thanks in advance. Thomas -- ====================================================================== Dr Thomas Evangelidis Research Scientist IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences https://www.uochb.cz/web/structure/31.html?lang=en Prague, Czech Republic & CEITEC - Central European Institute of Technology https://www.ceitec.eu/ Brno, Czech Republic email: tevang3@gmail.com website: https://sites.google.com/site/thomasevangelidishomepage/