nmrserver_logo From the Bax Group at the National Institutes of Health ...
DC: Servers for Dipolar Coupling Calculations


Generate a PDB File with HN-N Atom Pairs in Random Orientations

See Also:

About DC: Server-Based Tools for Dipolar Coupling Calculations
NMR Server PDB Utilities to Add Protons, Align Structures, etc
NMRPipe Table Format
Frank Delaglio     delaglio@nih.gov
Ad Bax     bax@nih.gov

Generation of Randomly Oriented HN-N Atom Pairs
This server creates a PDB file containing only HN-N atom pairs in random orientations, for the purpose of performing hypothesis testing of dipolar coupling analysis. By default, the atom pairs are arranged in a cubic grid, as shown here. Alternatively, if the grid steps below are set to zero, all atom pairs can be centered at the origin, as shown here. The server also creates a DC table of synthetic couplings corresponding to the PDB file generated. The random orientations are generated according to a random number seed. Use large integers for setting the random number seed, or value of 0 to set the random number seed according to the system clock.
Grid Vector Count X Y Z     Radius, Angstroms  
Grid Step, Angstroms   X Y Z     Random Number Seed   

Synthetic Couplings: Tensor Magnitude and Rhombicity [ More Info ]
Magnitude Da: can vary from -1.0 to 1.0, but is usually in the range of -1.0e-3 to 1.0e-3.
Rhombicity Rh: varies from 0.0 to 2/3.

Calculation results will be sent via Email.
Email Address should not contain special characters:


By using this server you are agreeing to the Terms of Use.

[ NMR Servers ] [ Home ] [ NIH ] [ NIDDK ]
server management software created by fd
last update: Apr 2 2012