From the Bax Group at the National Institutes of Health ... Calculate Hydrogen Bonds for an Existing PDB Structure (For Proteins Only)

Calculate Hydrogen Bonds for an Existing PDB Structure Contact: Yang Shen shenyang@niddk.nih.gov

		PDB Input: structure with one or more chains of the 20 common amino acids. If multiple models are present, only the first model will be processed. Example: ubiq.pdb
	Add hydrogens to PDB	Select this option to add hydrogens to the heavy atoms in the input PDB, the original hydrogens will be replaced if hydrogens are present in the PDB. The hydrogen atom addition will be performed using the DYNAMO program, see here for more about how the hydrogen atoms are added.
		Maximum interaction energy [kcal/mol]: The maximum allowed electrostatic interaction energy (as described in the paper "W Kabsch, C Sander, 1983,22: 2577-2637")
		Maximum Distance [Å]: The maximum allowed distance between the donor and the acceptor.
		Maximum Angle [Degree]: The maximum allowed angle between vector from the atom connected to the donor and the donor and the vector from the atom connected to the donor and the acceptor.

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last update: Apr 2 2012