org/>
>> http:// [1]nbcr [1]-222.ucsd.edu/pdb2pqr_2.0.0/
>> <http://222.ucsd.edu/pdb2pqr_2.0.0/> [1]
>> HTH,
>> Dave
>> --
>> Dr David C Briggs
>> Hohenester Lab
>> Department of Life Sciences
>> Imperial College London
>> UK
n, Jared
SENT: Wednesday, June 28, 2017 11:34:05 PM
TO: CCP4BB@JISCMAIL.AC.UK
SUBJECT: [ccp4bb] Correcting 3-letter codes based on protonation
states in a PDB file
Dear all -
I'm working with a PDB file with explicit hydrogens where many of the
histidines are in protonated form due to cry
Lab
Department of Life Sciences
Imperial College London
UK
http://about.me/david_briggs
From: CCP4 bulletin board on behalf of Sampson, Jared
Sent: Wednesday, June 28, 2017 11:34:05 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Correcting 3-letter codes based on
Dear all -
I'm working with a PDB file with explicit hydrogens where many of the
histidines are in protonated form due to crystallization at low pH.
Unfortunately, although the additional protons are present in the model for the
positively charged histidines, the residues in question are indi
