Michael S. Chapman

Kasha Laboratory of Molecular Biophysics
and Department of Chemistry & Biochemistry
Florida State University
Tallahassee, FL 32306-4380

RSRef2000 RSRef2.0 Bibliography

Software Downloads

RSRef    Roadmap    ssNMR    H-bonding   PBrestraint   Rfree2005   

RSRef:

For the fitting of atomic models into electron density maps derived from x-ray crystallography or electron microscopy by stereochemically-restrained refinement.

RSRef2000

Runs as a module for CNS, supporting simulated annealing or least-squares optimization with Cartesian or torsion angle parameterization of the model. Available for UNIX and Linux.

RSRef2.0

Runs as a module for TNT, supporting least-squares refinement with Cartesian model parameterization. Available for UNIX.

More detailed comparison of the two versions

RoadMap:

A program to display the surface of a macromolecule, and its properties. (UNIX).

ssNMR:

Module for refinement of macromolecular structures using orientational data from solid-state NMR. (UNIX).

Hbond2002:

Module for including an angle-dependent hydrogen bond restraint in crystallographic refinement of macromolecules. (UNIX and Linux).

PBrestraint:

Module for including an electrostatic Poisson-Boltzmann restraint in crystallographic refinement of macromolecules. (Linux).

Rfree2005:

Module for calculating less bias R-free by excluding neighboring reflections of test set reflections based on G-function. (Linux).