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Release Information:

UNIO’10

Version 2.0.2, Dec 21, 2011

Copyright © 2002-2011 Torsten Herrmann

Look at the Release notes.

(Previous release: UNIO Version 2.0.1, Sept 30, 2010.)

(Previous release: UNIO Version 2.0.0, May 10, 2010.)

(Previous release: UNIO Version 1.0.4, April 15, 2009.)

(Previous release: UNIO Version 1.0.3, April 9, 2009.)

(Previous release: UNIO Version 1.0.2, February 6, 2009.)

(Previous release: UNIO Version 1.0.1, January 13, 2009.)

(First release: UNIO Version 1.0.0, December 11, 2008.)


Contact:

Dr. Torsten Herrmann

Centre de RMN à Très Hauts Champs

Université de Lyon/UMR 5280 CNRS / ENS Lyon

5 rue de la Doua

69100 Villeurbanne, France

Email: torsten.herrmann@ens-lyon.fr

UNIO’10 User’s Guide:

Download the latest version of the User’s Guide for UNIO in PDF format: Unio-UserGuide.pdf [13.5MB]. (Using Acrobat Reader or Mac Preview)

(Last update: May 10, 2010)


UNIO’10 License:

Unio is free-of-charge for academic users. Please request a license via email and provide information about your institution and PI.

 

UNIO’10

UNIO enables you to perform automated NMR data analysis for protein 3D structure determination. UNIO represents the result of more than a decade of meticulous research performed in order to enable accurate, objective and highly automated protein structure determination by NMR.


UNIO NMR data analysis assembles the MATCH algorithm for backbone assignment (1), the ASCAN algorithm for side-chain assignment (2), the CANDID algorithm for NOE assignment (3) and the ATNOS algorithm for NMR signal identification (4) forming the core of UNIO and are accessed via a user-friendly and flexible graphical user interface. Crucial key elements in order to seamlessly integrate the principal data analysis components are novel routines for chemical shift referencing and chemical shift adaptation between the different NMR spectra used. The standard UNIO data analysis protocol requires only a minimal set of six NMR spectra, namely 3 APSY and 3 NOESY, and features high computational efficiency. Triple-resonance NMR experiments can alternatively be used instead of APSY data for obtaining the backbone resonance assignments. Powerful interactive graphic and text tools facilitate and enhance expert intervention at the structure refinement stage in form of validation, correction and completion of intermediate and final results.


The underlying NMR data analysis models in UNIO were designed for real-world applications in ”standard” NMR laboratories (requiring magnetic field strengths of 500MHz equipped with cryoprobe or 600MHz or above).


The experience gained so far (> 30 de novo structure determinations performed with the entire protocol ranging from backbone resonance assignment to 3D structure calculation) shows that the UNIO approach leads to accurate and objective NMR data interpretation (see UNIO structures).


(1) Volk, J.; Herrmann, T.; Wüthrich, K. J. Biomol.NMR. 2008, 41, 127-138.

(2) Fiorito, F.; Damberger, F.F.; Herrmann, T.; Wüthrich, K. J. Biomol. NMR 2008, 42, 23-33.

(3) Herrmann, T.; Güntert, P.; Wüthrich, K. J. Mol. Biol. 2002, 319, 209-227.

(4) Herrmann, T.; Güntert, P.; Wüthrich, K. J. Biomol. NMR 2002, 24, 171-189.

News

  1. UNIO on facebook. Get friend, write on the wall, report about your experience and open new discussion topics.
  2. UNIO’10 Release infos.

  3. UNIO performance in the NMR community-wide blind testing competition CASD-NMR.

  4. UNIO structures in PDB: 39

  5. ATNOS/CANDID structures in PDB: 129

  6. CANDID structures in PDB: 1706

  7. UNIO’10 available. UNIO provides highly to fully automated NMR structure determination.

  8. UNIO enables protein structure determination within one week including the collection of NMR experiments (see J-UNIO).

  9. UNIO includes data analysis algorithms for all parts of an NMR structure determination process.

  10. UNIO comes with a rich suite of utility programs for format conversion, post analysis of the NMR structure, molecule visualization, restraint inspection and more.

  11. Comprehensive documentation with more than 120 pages and over 90 figures.