The program XEASY for computer-supported NMR spectral analysis of biological macromolecules View Full Text


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Article Info

DATE

1995-07

AUTHORS

Christian Bartels, Tai-he Xia, Martin Billeter, Peter Güntert, Kurt Wüthrich

ABSTRACT

A new program package, XEASY, was written for interactive computer support of the analysis of NMR spectra for three-dimensional structure determination of biological macromolecules. XEASY was developed for work with 2D, 3D and 4D NMR data sets. It includes all the functions performed by the precursor program EASY, which was designed for the analysis of 2D NMR spectra, i.e., peak picking and support of sequence-specific resonance assignments, cross-peak assignments, cross-peak integration and rate constant determination for dynamic processes. Since the program utilizes the X-window system and the Motif widget set, it is portable on a wide range of UNIX workstations. The design objective was to provide maximal computer support for the analysis of spectra, while providing the user with complete control over the final resonance assignments. Technically important features of XEASY are the use and flexible visual display of 'strips', i.e., two-dimensional spectral regions that contain the relevant parts of 3D or 4D NMR spectra, automated sorting routines to narrow down the selection of strips that need to be interactively considered in a particular assignment step, a protocol of resonance assignments that can be used for reliable bookkeeping, independent of the assignment strategy used, and capabilities for proper treatment of spectral folding and efficient transfer of resonance assignments between spectra of different types and different dimensionality, including projected, reduced-dimensionality triple-resonance experiments. More... »

PAGES

1-10

References to SciGraph publications

  • 1993-01. 3D 13C-15N-heteronuclear two-spin coherence spectroscopy for polypeptide backbone assignments in 13C-15N-double-labeled proteins in JOURNAL OF BIOMOLECULAR NMR
  • 1991-05. Computer-assisted assignment of 2D1H NMR spectra of proteins: Basic algorithms and application to phoratoxin B in JOURNAL OF BIOMOLECULAR NMR
  • 1987-03. Symmetry recognition applied to two-dimensional NMR data in CARLSBERG RESEARCH COMMUNICATIONS
  • 1993-09. The program ASNO for computer-supported collection of NOE upper distance constraints as input for protein structure determination in JOURNAL OF BIOMOLECULAR NMR
  • 1994-05. Assignment of NMR spectra of proteins using triple-resonance two-dimensional experiments in JOURNAL OF BIOMOLECULAR NMR
  • 1994-07. Determination of the NMR solution structure of the cyclophilin A-cyclosporin A complex in JOURNAL OF BIOMOLECULAR NMR
  • 1991-07. Efficient analysis of protein 2D NMR spectra using the software packageEASY in JOURNAL OF BIOMOLECULAR NMR
  • 1994-01. A computer-based protocol for semiautomated assignments and 3D structure determination of proteins in JOURNAL OF BIOMOLECULAR NMR
  • 1994-01. Application of neural networks to automated assignment of NMR spectra of proteins in JOURNAL OF BIOMOLECULAR NMR
  • 1993-03. Computer-assisted assignment of multidimensional NMR spectra of proteins: Application to 3D NOESY-HMQC and TOCSY-HMQC spectra in JOURNAL OF BIOMOLECULAR NMR
  • 1994-11. A spectral correlation function for efficient sequential NMR assignments of uniformly 15N-labeled proteins in JOURNAL OF BIOMOLECULAR NMR
  • 1992-11. Processing of multi-dimensional NMR data with the new software PROSA in JOURNAL OF BIOMOLECULAR NMR
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1007/bf00417486

    DOI

    http://dx.doi.org/10.1007/bf00417486

    DIMENSIONS

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    PUBMED

    https://www.ncbi.nlm.nih.gov/pubmed/22911575


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