Skip to main content
U.S. flag

An official website of the United States government

Here’s how you know

Official government website icon

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

icon-https

Secure .gov websites use HTTPS
A lock ( Lock Locked padlock icon )or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases

  next up previous contents index  Xplor-NIH home Documentation

Next: Paramagnetic Residual Dipolar Coupling Up: Paramagnetic Pseudocontact Shift Restraint Previous: Syntax


Requirements

This potential requires a orientational axis centered on the paramagnetic metal. This consists of a center atom (superimposed on the metal atom) and three other atoms (X, Y, and Z) bonded to the center atom. The axis must have parameters, a molecular structure, and coordinates.

Of course, the molecular structure of the protein must also be defined. Atom selections are fragile, when reading in molecular structures.



Xplor-NIH 2025-03-21
  • Privacy Policy
  • Freedom of Information Act
  • Accessibility
  • Disclaimers
  • Copyright
  • Vulnerability Disclosure Policy
  • U.S. Department of Health and Human Services
  • National Institutes of Health