Provides comprehensive and innovative predictive chemical, spectroscopic, and database management software solutions.

We produce and market software for structure elucidation on the basis of molecular spectra. Our main products are: SpecInfo 3; MassLib; I*SEE; SpecTool; SpecData; AntiBase

Babel - A Molecular Structure Information Interchange Hub by Pat Walters and Matt Stahl Research Advisor Prof. Dan Dolata Artificial Intelligence in Chemistry Lab Department of Chemistry University of Arizona Tucson, AZ 85721 babel@mercury.aichem.arizona.edu Babel is a program designed to interconvert a number of file formats currently used in molecular modeling. The program is available for ...

Automated optimization and analysis of multi-dimensional Nuclear Magnetic Resonance spectra using NMRanalyst (FRED), AssembleIt, LockIt, and ShimIt.

Eric T. La Rosa*, Alan S. Stern, and Jeffrey C. Hoch *Harvard Medical School and The Rowland Institute for Science Copyright (c) 1996 Rowland Institute for Science Part of the Rowland NMR Toolkit Development of this program was supported by the Rowland Institute for Science and by the National Institutes of Health (GM-47467) Thanks to John Choi, Peter Connolly, Youcef Fezoui, Angela Gronenborn, ...

TALOS Program, NMRPipe Software ...

Software Developed at IUNMR Please contact chemnmr@indiana.edu if you would like more information about the software listed below. Mag Res: Magnet Reservation system through the internet Unauthorized users should see the DEMO of Mag Res page. Authorized users should see the official Mag Res page. This reservation system for UNIX-based NMR spectrometers is used to: view the daily schedule for one ...

Software Developed at IUNMR Please contact chemnmr@indiana.edu if you would like more information about the software listed below. Mag Res: Magnet Reservation system through the internet Unauthorized users should see the DEMO of Mag Res page. Authorized users should see the official Mag Res page. This reservation system for UNIX-based NMR spectrometers is used to: view the daily schedule for one ...

Mathcad Documents for Teaching NMR Introduction These Mathcad documents were originally prepared during the NMR Concepts workshops at the University of Rhode Island, July 1995. They were refined for teaching advanced spectroscopy. These documents introduce many of the major concepts in NMR data acquisition and data processing. Because they are interactive, students may change parameters and ...

Table of Contents Notes on XWINNMR Contents Notes on XWINNMR Marc Guenneugues Jun 9, 1999 Xwinnmr is the software developped by Bruker to monitor their spectrometer (acquire, process and analyse NMR data). It is available on every Bruker spectometer of course, but also on any worstation since the group acquired two floating licenses. The present document is a short and gentle introduction to ...

Downloads The following are a few utilities that the Keeler group has created for use with XWIN-NMR. Please Note The following programs are free if used for academic purposes. There is no warranty for damages caused by using the programs. Without permission from the author(s), you may not distribute the programs. Before you send requests, questions, or bug reports to the author(s), please ...

SLU | Dep't of Chem | webmail | research | education | staff | contact Some functions to read (processed) Bruker NMR-Data, both 1D and 2D, into Matlab. There is also a function to read MALDI-tof data in XMASS-format. The functions are downloadable from the links to the left. Click below to see the functions on screen. Read NMR-data: readbnmr.m Read NMR-data sets by specifying a portfolio: ...

Home page of Roland Stenutz, Dept of Chemistry, Swedish University of Agricultural Sciences, Uppsala. Main interests are Conformational analysis and NMR-spectroscopy of carbohydrates.