Computational Chemistry
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SwaN-MR

It is a pleasure to announce that version 3.2.3 of the NMR processing program SwaN-MR is available, as a compressed-self-expanding file , (via anonymous ftp) from the following repositories:

qobrue.usc.es

directory /ftp/pub/nmr/SwaN_MR_323

ccl.osc.edu

directory /pub/chemistry/software/MAC/Swan-NR

Or from the following gopher server:

gopher://ccl.osc.edu:73/11/software/MAC/Swan-NR

Please visit the SwaN-MR WWW home-page at:

http://qobrue.usc.es/jsgroup/swan/swan.htm

SwaN-MR is a FREEWARE program for the PowerMac. It processes and analyzes NMR spectra (1D to 4D, from Varian: XL, VXR, Gemini, Unity. Bruker: AC, AM, AMX. 20-bit files: Nicolet. Binary files: GE, MacFID and Chemagnetics. ASCII files: real part of transformed spectra). It is also very useful in annotating, printing and presenting spectra. The program has been written by:

Dr. Giuseppe Balacco
MENARINI RICERCHE s.p.a.
Via Sette Santi, 3
I-50131 Firenze
ITALY
phone: 39 55 56 80 339
fax: 39 55 56 80 419
e-mail: qobala@usc.es

In order to use SwaN-MR you need to write a SIGNED AND DATED LETTER (no fax or e-mail messages) to Dr. Balacco requesting a LICENSE. There is no fee for the license.

The program's capabilities include:

• Weighting (9 different window functions) FFT up to 256K points (real, complex, hypercompex, etc)
• Phase Correction (1 manual and 2 automatic options)
• Magnitude representation
• Baseline Correction (6 options, including 5th degree polynomials and trigonometric series)
• BasePlane correction
• Integration (manual and automatic in 1 and 2 dimensions)
• Least Squares Fitting (to Lorentzian or Gaussian functions)
• Quanto-mechanical simulations
• Fast Linear Prediction
• Digital Solvent Suppression
• T1 calculation (inversion recovery)
• Spectral Editing (algebraic addition and much more)
• Symmetrization
• Spectral simulation (up to 9 non-equivalent 1/2 spins -40 in total-)
• ... AND MANY MORE

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