Software
- List of NMR software:
http://nmrwiki.org/wiki/index.php?title=NMR_Software
- List of EPR software:
DeerAnalysis - A program for extracting distance distributions from dead-time free pulsed electron electron double resonance (DEER, PELDOR) data with Matlab.
MMM - An open-source program for visualization, inspection, and improvement of models of proteins and protein assemblies based on restraints from multiple experimental techniques.
BlochSolver - Educational program for visualization of magnetization vector trajectories.
Virtual EPR - A basic CW EPR spectrometer simulation with only one DPPH-like sample.
EasySpin - Simulating EPR spectra with Matlab (Windows, Linux, Mac).
SpecMan - Spectrometer control software for pulse EPR experiments.
- List of software which can perform NMR DFT calculations:
CASTEP - uses density functional theory with a plane wave basis set to calculate the electronic properties of crystalline solids, surfaces, molecules, liquids and amorphous materials from first principles
ADF - Heavy elements and transition metals are accurately modeled with ADF's reliable relativistic ZORA approach and all-electron basis sets for the whole periodic table (H-Uuo)
Quantum ESPRESSO - an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
Gaussian - for electronic structure modeling
Please let us know of any new software that you think should be added to the list.