Software for chemistry, NMR

ACD Labs

Advanced Chemistry Development, Inc., (ACD/Labs) is a global chemistry software company developing desktop and enterprise solutions to effectively utilize the wealth of scientific knowledge generated among the many branches of chemical, biochemical, and pharmaceutical R&D. Using our deep understanding of chemical disciplines, advanced mathematical algorithms, and computer science, our solutions help guide on-going research, aid decision-making, and speed the development of new chemical entities for the marketplace.

NUTS - NMR Data Processing Software

Acorn NMR develops and markets NMR-related software for Windows and Macintosh, and operates an NMR spectroscopy service in Livermore, CA.


NMRPipe is a UNIX-based collection of programs and scripts for manipulating multidimensional Nuclear Magnetic Resonance (NMR) Spectra. It is developed and maintained by Frank Delaglio, with contributions from the colleagues listed the illustration link here. A typical NMRPipe installation includes related software such as NMRDraw, NMRWish, TALOS, DYNAMO, ACME, and MFR.


CYANA ((c) by Peter Gu"ntert) is a program for automated structure calculation of biological macromolecules on the basis of conformational constraints from NMR. The combination of automated NOESY cross peak assignment, structure calculation with a fast torsion angle dynamics algorithm, and the ease-of-use of CYANA provide for unprecedented efficiency in NMR protein structure determination.

CYANA – Move to the dedicated page for CYANA

Perch - Complete Spectral Analysis

NMR spectroscopy is an extremely powerful tool providing valuable structural and also quantitative information for the characterization of single compounds and mixtures. NMR parameters (chemical shifts and coupling constants) extracted from 1D-1H spectra already provide comprehensive structural information. However, spectral overlap and higher order effects pose a challenge making these NMR parameters difficult to access. Complete NMR spectral analysis using quantum mechanical optimization of NMR parameters to match the actual ones in the experimental data is a classic approach to handle this problem and used to be the gold standard of spectral analysis.

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Software for MRI, CT, Medical image analysis


LCModel, Automatic quantification of in vivo proton MR spectra.


MRVision is a high-end image display and processing program offering state-of-the-art analysis and visualization functions to realize the latest advances in medical imaging.


Analyze is comprehensive and interactive package for multidimensional image visualization, processing and analysis.


Simple and easy-to-use analytical software compatible with various medical images.


All the tools for the analysis of MRI, CT, Conventional Radiology, Nuclear Imaging exams in a single place.

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