GSAS: Some Relevant Background
by Bob von Dreele and Alan Larsen
Available for Windows / DOS / Linux / SGI
Separate GUI by Brian Toby (EXPGUI)
Combined X-ray / Neutron / Single Crystal / Powder Diffraction
Integrated Fourier map generation and viewing
- Restraints
- Bond angle
- Bond length
- Planar
- Total Chemistry / charge balance
- Chiral volume
- Phi/psi group
- Torsion angle