Nuclear Magnetic Resonance
- 161
- CARA - Computer Aided Resonance Assignment
- An application the analysis of NMR spectra and resonance assignment developed at Prof. Kurt Wüthrich's group.
- 164
- MEXICO and MEX
- Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems
- 166
- Predicting NMR Spectra
- Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.
- 167
- ACD Labs
- ACD/SpecManager processing and databasing capabilities for different kinds of experimental spectra: 1D NMR, 2D NMR, MS, UV-Vis, IR and Raman.
- 171
- PERCH Solutions
- PERCH Solutions Ltd. offers PERCH NMR Software a tool for analytical automation of NMR spectral data. Works only for Proton data. For use with TopSpin versions 2.0 and above, on Windows, not on Linux platforms.
- 172
- SOLIDS simulation program
- Solid-state NMR simulation,version 2.2.13, 1998. A FORTRAN program to simulate SS NMR spectra.
- 174
- CheShift
- A protein structure validation server based on quantum mechanics computed chemical shifts.
- 175
- DINOSAUR
- A free Fortran suite of programs for structure refinement using direct NMR nOe restraints.
- 176
- SSIA - Simulation of Sterically Induced Alignment Tensor
- A program for predicting the magnitude and orientation of a sterically induced alignment tensor
- 177
- Spectrum Research, LLC.
- Develops and sells Computer Assisted Structure Eluicidation (CASE) programs to the pharmaceutical, biotech and chemical industries.
- 178
- WebCocon
- The site offers the possibility to submit NMR correlation data (COSY, HMBC, others) from small molecules (ea natural products) and returns a complete set of constitutions compatible with this data. It is free for non comercial use, but not for download.