DYNAMO

DYNAMO


Synopsis

The NMR molecular dynamics and analysis system.

Description

DYNAMO is a system of software tools and scripts for calculating and evaluating molecular structures. DYNAMO includes a cartesian-coordinate simulated annealing engine, and facilities for NMR homology search to assemble collections of molecular fragments which are consistent with NMR observables. The tools of DYNAMO are accessed via scripts written in the TCL/TK scripting language.

DYNAMO can use the following kinds of experimental restraints during a simulated annealing protocol:

  • NOE derived interproton distance restraints
  • NMR-derived torsion angle restraints
  • J-coupling constants
  • Radius of gyration
  • Atomic coordinates from a related structure or fragment
  • Pseudo-Contact Shifts
  • Dipolar couplings

URL

https://spin.niddk.nih.gov/NMRPipe/dynamo/

Versions

NMRbox Version Software Version
1.0.0 7.2_rev2013.047.09.17,
2.0.0 7.2_rev2013.047.09.17,
3.0.0 7.2_rev2013.047.09.17,

Keywords

  • Molecular Dynamics