Links Useful for Solid State and Solution NMR

Links to:

• Web pages
• Software
• Books

Web Pages

• JUME 1H and 13C predictor
  • Draw a structure in the applet and predict the 1H or 13C spectrum. Requires Java 1.1 From ETH and www.upstream.ch.
• NMR Knowledge Base
  • Contains links to many web pages, conerence announcements and job postings.
• Automated Protein Chemical Shift Prediction
  • Enter a protein sequence and the proton, carbon and nitrogen chemical shifts will be calculated for you. See Wishart, D.S., Watson, M.S., Boyko, R.F., & Sykes, B.D. (1997) "Automated 1H and 13C Chemical Shift Prediction Using the BioMagResBank" J.Biomol. NMR 10, 329-336.
• Varian Users Online
  • A list of webpages of users of Varian equipment. Many useful links to pulse sequences, helper programs and so on.
• Gifa
  • Gifa Version 4 is a computer program designed for the processing, the visualization and the analysis of 1D, 2D, and 3D NMR data-set; runs on UNIX computers.
• Proton NMR Spectral Data Viewer (Test Version)
  • Database of proton spectra. Test version. Requires Java enabled browser.
• CamSoft ChemFinder
  • Links to properties of thousands of compunds, including NMR spectra.
• Integrated Spectral database System of Organic Compounds
  • Database of spectra for 20 000 compounds. The spectra include mass spectrometry, 1H NMR, 13C NMR, ESR, IR and Raman.
• Wilmad Glass Resonance Report #10
  • Words of wisdom on cleaning and drying nmr tubes.
• Wilmad Glass Resonance Report #6
  • Making air-sensitive samples in NMR tubes.
• Wilmad Glass Resonance Report #12
  • Hints on Si-29 and B-11 NMR: how to remove the background signals of the nmr tubes.
• University of Toronto, medical sciences NMR home page
  • Home of Lewis Kay's group and source of many pulse sequences for protein work.
• NMR Information Server: Software
  • Useful compendium of NMR software.
• Acorn NMR
  • Home of SAM- Shimming Ain't Magic - and NUTS (NMR processing). Demoes for Macintosh and PC are available from their ftp site. See also the SAM manual for a great introduction to shimming.
• Edusoft - compilation of NMR software
  • A short summary of free, cheap, and commercial mainly educational NMR and ESR software suitable for simulating spectrometers and spectra, processing NMR data, and illustrating various concepts.
• BioMagResBank
  • A Repository for Data from NMR Spectroscopy on Proteins, Peptides, and Nucleic Acids. Over 1000 entries with over 130 000 proton shifts.
• NMRWeb WWW Sites from York's NMR Service
  • A very useful resource with many NMR links. A little bit dated, but contains many links to software (free and commercial) and other NMR WWW pages.

Software to Download

• Spinworks
  • For Windows only, a program to process 1D and 2D spectra. Includes Alex Bains' MEXICO and spin simulation.
• SwaN-MR
  • For Macintosh, a program to process 1D and 2D spectra. Free, full featured. Requires registration, plus citation. Imports many FID formats, does spectral simulation. New release May, 1999.
• MestRe-C
  • For Windows 95/98/NT, a program to process 1D and 2D spectra. Free, based on SwaN-MR code. Imports many FID formats, does spectral simulation. Nows have a very expensive license charge.
• MORASS: Multiple Overhauser Relaxation AnalysiS and Simulation
  • MORASS uses a full hybrid matrix eigenvalue/eigenvector solution to the Bloch equations to derive cross-relaxation rates and interproton distances. MORASS analyzes 2D NMR NOESY data from oligonucleotides and proteins to evaluate cross-relaxation rates from which interproton distances are obtained. These are output in a format suitable for use as distance constraints in molecular dynamics calculations. FORTRAN source included
• GAMMA
  • GAMMA is a set of subroutines (a C library) designed to facilitate construction of programs that simulate magnetic resonance phenomena. It runs under Linux and other UNIX operating systems (IRIX, Solaris)
• NMR pipe
  • The NMRPipe system provides facilities for conversion and processing of 1D-4D NMR spectra and spectral images, and for interactive processing and display of raw and processed data. Extensive options for inverse processing, Linear Prediction, Maximum Entropy, and user-written functions are provided. Many auxiliary facilities are included, such as multidimensional lineshape fitting, and general functional fitting with Monte Carlo error estimation. Available through restricted ftp. Contact Frank Daglia for more information. Unix based, with version for IRIX, Solaris, SunOS, and Linux.
• ACD Freeware
• Some freeware from ACD Labs. Use the free ChemSketch (windows only) to submit structures to ACD i-Lab.

NMR Books

• QD/96/N8F74/1997X
  Title: A handbook of nuclear magnetic resonance
  Author: Freeman, Ray, 1932-
  Published: Harlow, Essex, England : Addison Wesley Longman, 1997.
  Edition: 2nd ed.
  Subject: Nuclear magnetic resonance spectroscopy.
  Material: xv, 344 p. : ill.
  Note: Includes bibliographies and index.
  ISBN: 0582251842
  System ID no: AYV-9971
  
  Gerstein Library
  CALL NUMBER: QD/96/N8F74/1997X
  Bladen Library, Scarborough
  CALL NUMBER: QD 96 N8 F74 1988
  Gerstein Library
  CALL NUMBER: QD 96 N8F74 1988
  

• QD/96/N8B727/1996X
  Title: 100 and more basic NMR experiments : a practical course
  Author: Braun, Siegmar.
  Kalinowski, Hans-Otto.
  Berger, Stefan, 1946-
  Published: Weinheim ; New York : VCH, c1996.
  Subject: Nuclear magnetic resonance spectroscopy.
  Other titles: One hundred and more basic NMR experiments
  Material: xii, 418 p. : ill. ; 24 cm.
  Note: Includes bibliographical references and index. AYH-9924
  ISBN: 3527290915 (softcover : acid-free paper)
  System ID no: AYH-9924
  
  Gerstein Library
  CALL NUMBER: QD/96/N8B727/1996X -- BOOK -- Available
  Check at Chemistry Library
  CALL NUMBER: QD/96/N8B727/1996X -- BOOK -- Available/NonRequest
  

• QD 481 N46 1989
  Title: The nuclear Overhauser effect in structural and conformational analysis
  Author: Neuhaus, David, 1956-
  Williamson, Michael P., 1957-
  Published: New York City : VCH, c1989.
  Subject: Conformational analysis. Overhauser effect (Nuclear physics)
  Material: xxii, 522 p. : ill.
  Note: Includes bibliographical references and index.
  ISBN: 0895733439 3527266399 (Germany)
  System ID no: AMC-3060
  
  Gerstein Library CALL NUMBER: QD 481 N46 1989
  

• QC/462/P1H36/1991
  Title: CRC handbook of phosphorus-31 nuclear magnetic resonance data
  Author: Tebby, John C., 1933-
  Published: Boca Raton : CRC Press, c1991.
  Subject: Phosphorus --Isotopes --Spectra --Handbooks, manuals, etc.
  Nuclear magnetic resonance spectroscopy --Handbooks,
  manuals, etc.
  Other titles: Handbook of phosphorus-31 one nuclear magnetic resonance data.
  Material: 573 p. ; 27 cm.
  Note: Includes bibliographical references and index.
  ISBN: 0849335310
  System ID no: ANT-6253
  
  Gerstein Library
  CALL NUMBER: QC 462 P1H36 1991
  

• QD/272/S6/L474/1980
  Title: Carbon-13 nuclear magnetic resonance spectroscopy
  Author: Levy, George C.
  Lichter, Robert L.
  Nelson, Gordon L., 1943-
  Published: New York; Toronto, Wiley, 1980.
  Edition: 2d ed. --
  Subject: Nuclear magnetic resonance spectroscopy
  Carbon --Isotopes
  Material: xiv, 338 p.ill. ; 24 cm.
  Note: "A Wiley-Interscience publication."Edition of 1972
  published under title: Carbon-13 nuclear magnetic
  resonance for organic chemists.Includes bibliographical
  references and index.
  System ID no: ALO-0243
  
  Erindale College Library
  CALL NUMBER: QD 272 S6 L474 1980
  Bladen Library, Scarborough
  CALL NUMBER: QD 272 S6 L474 1980
  Gerstein Library
  CALL NUMBER: QD 476 L48 1980
  CALL NUMBER: QD 476 L48 1980
  Check at Chemistry Library
  CALL NUMBER: QD/476/L48/1980
  
  

• QD 272 S6L475
  Title: Nitrogen-15 nuclear magnetic resonance spectroscopy
  Author: Levy, George C.
  Lichter, Robert L.
  Published: New York : Wiley, c1979.
  Subject: Nuclear magnetic resonance spectroscopy.
  Nitrogen --Isotopes.
  Chemistry, Organic.
  Material: ix, 221 p. : ill.
  Note: "A Wiley-Interscience publication."
  Includes bibliographical references and index.
  ISBN: 0471029548
  System ID no: AIL-1867
  
  Check at Chemistry Library
  CALL NUMBER: QD 272 S6L475
  Gerstein Library
  CALL NUMBER: QD 272 S6L475
  

• QD/96/N8B75
  Title: Handbook of high resolution multinuclear NMR
  Author: Brevard, C. (Christian)
  Granger, P. (Pierre)
  Published: New York : Wiley, c1981.
  Subject: Nuclear magnetic resonance spectroscopy.
  Material: xvii, 229 p. --
  Note: Includes index.
  A Wiley-Interscience publication.
  Bibliography: p. 213-226.
  ISBN: 0471063231
  System ID no: ADO-5906
  
  Gerstein Library
  CALL NUMBER: QD 96 N8B75
  

• QD/96/N8S26/1982
  Title: Dynamic NMR spectroscopy
  Author: Sandström, J.
  Published: London ; New York : Academic Press, 1982.
  Subject: Nuclear magnetic resonance spectroscopy.
  Other titles: Dynamic N.M.R. spectroscopy.
  Material: x, 226 p. : ill. ; 24 cm.
  Note: Includes bibliographical references and index.
  ISBN: 0126186200
  System ID no: AIL-6923
  
  Check at Chemistry Library
  CALL NUMBER: QD/96/N8S26/1982
  Gerstein Library
  CALL NUMBER: QD 96 N8S26 1982
  
  

• QD/272/S6/O35/1985
  Title: Applications of dynamic NMR spectroscopy to organic chemistry
  Author: Oki, Michinori, 1928-
  Published: Deerfield Beach, FL : VCH Publishers, c1985.
  Subject: Nuclear magnetic resonance spectroscopy.
  Chemistry, Organic.
  Series: Methods in stereochemical analysis. v. 4
  Material: xii, 423 p. : ill. ; 25 cm. --
  Note: Includes bibliographies and index.
  ISBN: 0895731207
  System ID no: AGS-9081
  

• QC/762/J32
  Title: Dynamic nuclear magnetic resonance spectroscopy
  Author: Jackman, Lloyd Miles.
  Cotton, F. Albert (Frank Albert), 1930-
  Published: New York : Academic Press, 1975.
  Subject: Nuclear magnetic resonance spectroscopy.
  Material: xiv, 660 p. : ill.
  Note: Includes bibliographies.
  ISBN: 0123788501
  System ID no: ACA-7052
  
  Gerstein Library
  CALL NUMBER: QC 762 J32
  Check at Chemistry Library
  CALL NUMBER: QC/762/J32
  Gerstein Library
  CALL NUMBER: QD 272 S6 O35 1985
  
  

• QD/96/N8/D47/1987
  Title: Modern NMR techniques for chemistry research
  Author: Derome, Andrew E.
  Published: Oxford [Oxfordshire] ; New York : Pergamon Press, 1987.
  Edition: 1st ed. --
  Subject: Nuclear magnetic resonance spectroscopy
  Series: Organic chemistry series ; v. 6
  Material: xvii, 280 p. : ill. (some col.) ; 31 cm. --
  Note: Includes bibliographies and index.
  ISBN: 0080325149 : $46.00 (U.S. : est.)
  0080325130 (soft) : $23.00 (U.S. : est.)
  System ID no: ALC-8776
  
  Erindale College Library
  CALL NUMBER: QD 96 N8 D47 1987
  Gerstein Library
  CALL NUMBER: QD 96 N8D47 1987
  Check at Chemistry Library
  CALL NUMBER: QD/96/N8D47/1987
  
  

• QP/519/.9/N83B68/1996X
  Title: NMR of polymers
  Author: Bovey, Frank Alden, 1918-
  Mirau, Peter A.
  Published: San Diego : Academic Press, c1996.
  Subject: Nuclear magnetic resonance spectroscopy.
  Macromolecules --Analysis.
  Material: x, 459 p. : ill. ; 24 cm.
  Note: Includes bibliographical references and index.
  ISBN: 0121197654 (acid-free paper)
  System ID no: AYJ-7945
  
  Gerstein Library
  CALL NUMBER: QP/519/.9/N83B68/1996X
  Erindale College Library
  CALL NUMBER: QP 519.9 .N83B68 1996 ERIN
  

• QP/519/.9/N83N69/1993
  Title: NMR of macromolecules : a practical approach
  Author: Roberts, G. C. K. (Gordon Carl Kenmure)
  Published: Oxford ; New York : IRL Press at Oxford University
  Press, c1993.
  Subject: Nuclear magnetic resonance spectroscopy.
  Macromolecules --Analysis.
  Nuclear Magnetic Resonance --methods.
  Macromolecular Systems.
  Protein Confirmation.
  Proteins --physiology.
  Series: Practical approach series. 134
  Material: xviii, 399 p. : ill.
  Note: Includes bibliographical references.
  ISBN: 0199632243 (pbk) :22.50 ($33.75) 0199632251 (hbk) :32.50 ($48.75)
  System ID no: ARL-9822
  

• QP/551/P69726/1996X
  Title: Protein NMR spectroscopy : principles and practice
  Author: Cavanagh, John, 1963-
  Published: San Diego : Academic Press, c1996.
  Subject: Nuclear Magnetic Resonance --methods --laboratory manuals.
  Nuclear magnetic resonance spectroscopy --Laboratory manuals.
  Proteins --Analysis --Laboratory manuals.
  Proteins --analysis --laboratory manuals.
  Material: xxiii, 587 p. : ill. ; 24 cm.
  Note: Includes bibliographical references and index.
  ISBN: 0121644901 (alk. paper)
  System ID no: AWZ-4324
  
  Gerstein Library
  CALL NUMBER: QP/551/P69726/1996X
  CALL NUMBER: QP/551/P69726/1996X
  On order for Chemistry Library
  Order received
  
  

• QP/551/P69727/1997
  Title: Protein NMR techniques
  Author: Reid, David G.
  Published: Totowa, N.J. : Humana Press, c1997.
  Subject: Proteins --Analysis.
  Nuclear magnetic resonance spectroscopy.
  Series: Methods in molecular biology ; 60
  Methods in molecular biology (Clifton, N.J.) ; 60.
  Material: x, 419 p. : ill. ; 24 cm.
  Note: Includes bibliographical references and index.
  ISBN: 0896033090 (alk. paper)
  System ID no: AZB-8962
  
  Gerstein Library
  CALL NUMBER: QP/551/P69727/199

   

   

Please email Tim Burrow with any comments