Re: [ccp4bb] Correcting 3-letter codes based on protonation states in a PDB file

2017-06-29 Thread Jared Sampson
] >> ----- >> FROM: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of >> Sampson, Jared <jms2...@cumc.columbia.edu> >> SENT: Wednesday, June 28, 2017 11:34:05 PM >> TO: CCP4BB@JISCMAIL.AC.UK >> SUBJECT: [ccp4bb] Correcting 3-letter

Re: [ccp4bb] Correcting 3-letter codes based on protonation states in a PDB file

2017-06-29 Thread Tristan Croll
nesday, 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 crystallizati

Re: [ccp4bb] Correcting 3-letter codes based on protonation states in a PDB file

2017-06-29 Thread Briggs, David C
ISCMAIL.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 crystallization at low pH. Unfortunately, although the additional pr

[ccp4bb] Correcting 3-letter codes based on protonation states in a PDB file

2017-06-28 Thread Sampson, Jared
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