[gmx-users] Re: His protonation

Justin A. Lemkul jalemkul at vt.edu
Fri Jun 18 12:57:35 CEST 2010

Tsjerk Wassenaar wrote:
>> There are no protons in crystal structures.
> http://www.rcsb.org/pdb/explore/explore.do?structureId=2VB1

I stand corrected :)  In general, though, most crystal structures do not have 
resolution sufficient enough to assign hydrogen positions.  This one is 
especially good!



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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