Dear Dr Peligro, I imagine this evaluation review of protonation prediction that we published will be of interest:- https://www.tandfonline.com/doi/abs/10.1080/08893110903213700 If you don’t have access to this article (ie it is behind a paywall) perhaps we can dialogue offline… Best wishes, John
Emeritus Professor John R Helliwell DSc > On 11 Nov 2022, at 19:47, Murpholino Peligro <murpholi...@gmail.com> wrote: > > > Hi > > What is the best way to add hydrogens to a pdb file for a, probably, last > round of refinement? > > Can hydrogens be added in a pH/pka-dependent manner? Something like this > (https://server.poissonboltzmann.org/) but get a pdb file ready for > phenix.refine/buster/refmac? > > > Thanks > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
