thoughtadvances

143 reputation

	143 reputation	bio	website	github.com/kienjakenobi	visits	member for	1 year, 2 months
3 badges		location			seen	Mar 7 '12 at 1:39

9 Actions

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?