AUREMOL - Automated protein structure determination tool

University of Regensburg

Scientific Faculty III
Department of Biophysics und Physical Biochemistry
Prof. Dr. Dr. Hans Robert Kalbitzer

AUREMOL Forum

Structures solved using AUREMOL

References

Jobs

Contact

News

18-Nov-2009
AUREMOL 2.4.0 (Windows)
AUREMOL 2.4.0 (Linux)

This time limited software version is free of charge (100 days after installation, no additional license required).

Permanent licenses can be obtained from Bruker BioSpin GmbH, License department (license@bruker.de).

New features added:

FFT -> caluculates the Hypercomplex Fast Fourier Transformation forth and back for all the acqs modes

Auto Baseline -> calculates the baseline correction for 1D-2D-3D spectra

Remove Water -> calculates the complex SSA removing the water artefact

Lw of a Peak -> calculates the linewidth of peaks fitting lorentzians and gaussians functions using the Levenberg-Marquardt optimization

Updates -> update of Auremol is possible with help menue

New peak picking -> bayesian peak picking of 2D and 3D spectra

Simualted based sequential assignment -> automated assignment of NOESY H/H Protein spectra

Partial new dialogs (RELAX, integration, bayesian peak picking)

12-Oct-2007
AUREMOL 2.3.0 has been released

New features added:
- Linux support
- Project management
- Improved KNOWNOE tables
- Improved SHIFTOPT (fka PEAKASSIGN(fka AUNOAS))
- Automatic level scaling
- Tutorial
- ISIC (Intelligent Structural Information Combination) implemented
- PERMOL (Homology Modelling) implemented
- Peak display filter added
- Correlation for plane browsing (3D) added
- Adaptive peak picking (2D) improved
- CNS/DYANA MD interface implemented
- Sequential assignment improved
- CFID default acquisition parameters added

Description

AUREMOL is a software package for automated NMR spectrum evaluation and protein structure determination, compatible with AURELIA and developed in cooperation with Bruker BioSpin GmbH .

Features:

- Automated artifact removal in experimental spectra
- Backcalculation of NOESY spectra (2D,3D)
- R-factor calculation
- Manual editing of 2D and 3D spectra (Bruker), basic 4D support
- Automatic NOE assignment based on statistical methods

Screenshots:

Contact

For questions and suggestions please visit the new AUREMOL Forum or send an email to the AUREMOL team:

University of Regensburg:	Prof. Dr. Dr. Hans Robert Kalbitzer Kumaran Baskaran Massimo Wilhelm Maloni Silvia DeSanctis Harald Donaubauer Bärbel Kieninger Tobias Harsch Alumni: PD Dr. Wolfram Gronwald Dr. Konrad Brunner Dr. Andre Fischer Dr. Jochen Trenner Dr. Renate Kirchhöfer Dr. Adel Nasser Dr. Bernhard Ganslmeier Dr. Adrian Görler Andreas Ried Josef Scheiber
Bruker BioSpin:	Dr. Klaus-Peter Neidig Dr. Christian Fischer