XPLOR-NIH

XPLOR-NIH


Synopsis

A structure determination program which builds on the X-PLOR program.

Description

XPLOR-NIH is a structure determination and manipulation program that uses minimization protocols based on molecular dynamics, simulated annealing, and other algorithms. The potential energy terms are based on:

– input from NMR (and other) experiments: NOE, dipolar coupling, chemical shift data, SAXS, SANS, fiber diffraction, etc.

– other potential terms enforce reasonable covalent geometry (bonds and angles), and to prevent atomic overlap.

– knowledge-based potential terms incorporate info from structure database (packing, torsion angles, etc.)

The XPLOR-NIH package includes: program, topology, covalent parameters , potential energy parameters, databases for knowledge-based potentials, helper programs, example scripts, and high level protocols for structure helper scripts/programs determination and analysis.

URL

http://nmr.cit.nih.gov/xplor-nih

Versions

NMRbox Version Software Version
1.0.0 2.40,
2.0.0 2.43,
3.0.0 2.45-update,

Keywords

  • Structure Determination