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Felix Assign provides
automatic and semi-automatic capabilities
for NMR spectral assignment of biological
macromolecules, encompassing all the stages
of spin system detection, spin system
identification, resonance and crosspeak
assignment, and restraint generation. A broad
range of spectra can be analyzed, from
homonuclear 2D spectra to heteronuclear
double- and triple-resonance, 3D and 4D
spectra using methods developed in
collaboration with Dr. R. Kaptein (Utrecht,
Netherlands)2 and Dr. D. Marion (Grenoble,
France)3. |
The sophisticated algorithms (such
as those based on fuzzy algebra and global
optimization for spin system identification
and sequential assignments, as well as the
great variety of manual tools for generating
overlaid spectra, correlated frames, tiles,
and strip plots) make Felix Assign
invaluable during the complex task of spin
system assignment. Felix Assign can literally
save years of effort by
tracking, managing, and automating the
assignment process.
Highlights
• Spin system detection and sequential
assignment for numerous experiments:
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2D & 3D
Homonuclear |
- 2D COSY/TOCSY/NOESY
- 3D TOCSY-TOCSY/TOCSY-NOESY/NOESY-NOESY |
|
2D & 3D Double
Resonance |
- 2D 15N HSQC
- 3D 15N HSQC-TOCSY
- 3D HCCH-TOCSY |
|
3D Triple
Resonance |
- HNCO/HNCA/HN(CO)CA
- CBCANH/CBCA(CO)NH
- HNCO/CBCANH/CBCACO(N)H
- HNHA/HNCACB/CBCA(CO)NH |
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Triple Resonance |
- HNCAHA/HN(CO)CAHA |
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4D
• Ability for user to define assignment
protocol if alternative experiments
performed
• Flexible overlay of spectra
• Automated and manual NOE crosspeak
assignment for:
- 2D NOESY
- 3D NOESY-NOESY
- 3D and 4D heteronuclear edited NOESY
spectra
• Generation of restraints that can be read
by Insight II’s NMR Refine DGII, NMR Refine
Advanced,NMR X-PLOR, and CNX-NMR
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