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: Requirements Up: Diffusion Anisotropy Restraints Previous: Diffusion Anisotropy Restraints


Syntax

 DANI {<Diffusion-statement>} END 
 <DANIsotropy-statement>:== 
  ASSIgn <sel> <sel> <sel> <sel> <sel>
  <selection> <real> <real>
  {* atom i j  k  l  m  n Anis-obs  Anis-err*}
  {* atom i = center, atom j = Z, atom k = X, atom l = Y *}
  CLASsification <name> ! Starts a new class. Applies to all 
       ! ASSIgn , TYPE, and FORCe entries until 
       ! another CLASS entry is issued. 
  COEFficient <real> <real> <real> <real> <real>
  coef: <Tc> <anis> <rhombicity> <wh> <wn>
  Tc = 1/2(Dx+Dy+Dz), anis = Dz/0.5*(Dx+Dy)
  rhombicity = 1.5*(Dy-Dx)/(Dz-0.5*(Dy+Dx))
  Tc is in <ns>, wh and wn are in <MHz>
  FORCeconstant <real> ! force constant for all  
       ! assignments in the current class. {default = 50} 
  NREStraints <integer> ! No. of slots for Anis restraints 
       ! to allocate in memory {default = 200} 
  POTEntial <SQUAre | HARMonic> ! whether to use Anis-err or not
  PRINt THREshold <real> ! prints Anis violations  
       ! greater than the specified value 
  RESEt  ! erases the Anis. assignment table, 
       ! but keep NREStraints the same. 
  TYPE <DIFF | MISC> ! indicates the type of anisotropy.



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