[Chimera-users] Protonating ASP and GLU

Francesco Pietra chiendarret at gmail.com
Thu Sep 18 08:14:35 PDT 2008

Is there any special reason why, in the AddH option, side chains are
only considered for HIS (with full options)? Why similar options are
not given to protonate GLU and/or ASP at the carboxylate?

The general option to consider H-bonding does not work in my case for
such residues close to one another in space with Chimera (the two O
atoms of two ASP residues are at 2.56A from one another). Even Reduce,
supposed to protonate close lying carboxylates, failed in my case.
This is why I would consider to add that option in future versions of

francesco pietra

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