X-PLOR

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Description

X-PLOR is a program system for computational structural biology. X-PLOR's main focus is the three-dimensional structure determination of macromolecules using crystallographic diffraction or nuclear magnetic resonance (NMR) data. The program is based on an energy function approach: arbitrary combinations of empirical, geometric and effective energy terms describing experimental data may be used. The combined energy function can be minimized by a variety of gradient descent, simulated annealing, and conformational search procedures.

Usage

module avail xplor-nih/ # list available modules
module load xplor-nih   # load (default) module

Documentation

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

Homepage

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