Computational Chemistry
Software YellowPages
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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