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seen Mar 7 '12 at 1:39

Feb
26
comment PDB Mining: Why Do I Find Atoms Less than 1 Angstrom Apart?
Interesting ideas. Thank you.
Feb
25
awarded  Scholar
Feb
25
accepted PDB Mining: Why Do I Find Atoms Less than 1 Angstrom Apart?
Feb
25
comment PDB Mining: Why Do I Find Atoms Less than 1 Angstrom Apart?
Now, I am left with only one problem: I expected to see most Hydrogen bonding situations between aromatic rings and sidechain Hydrogen donors. To the contrary, I am seeing far more Hydrogen bonding situations between mainchain Hydrogens and the aromatic ring. Can you think of any reason why? I would expect the large backbone structure to be unable to get near to the small aromatic rings.
Feb
25
comment PDB Mining: Why Do I Find Atoms Less than 1 Angstrom Apart?
Excellent idea. Indeed, when I test for the distance from the Hydrogen to the center of the aromatic, I do not find any situations where the Hydrogen is within 1.0 Angstrom. Indeed, situations where the Hydrogen is within 2.0 Angstroms is rare. As for the NMR consideration, I did take care of that. My parser successfully parses all of the NMR's MODEL's, and then it throws out all but the first one for the sake of this project
Feb
25
awarded  Supporter
Feb
25
awarded  Student
Feb
24
comment PDB Mining: Why Do I Find Atoms Less than 1 Angstrom Apart?
Constructive criticism is far more useful than a down vote.
Feb
24
asked PDB Mining: Why Do I Find Atoms Less than 1 Angstrom Apart?