BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Programs in tab2bmrb package

  • Converting chemical shift data between the common publication format and the NMR-STAR format
  • Calculate average, power and length NMR pulses (approximately), 1H H2O carrier temperature dependence, PHI angle from 3JHN(CA)HA coupling constant
  • Calculate random coil chemical shifts from a protein sequence

Warranty Disclaimer

The software and accompanying instructions are provided "as is" without warranty of any kind. The authors do not warrant, guarantee, or make any representations regarding the use, or the results of the use of the software or accompanying instructions in terms of correctness, accuracy, reliabilty, currentness or otherwise. The entire risk as to the results and performance of the software is assumed by you. If the software or instructions are defective, you, and not the authors, assume the entire cost of all necessary servicing, repair or correction.

How to Download the Software

    -Download the file tab2bmrb.tar.gz
    -Uncompress and untar the file.
        >gzip -d tab2bmrb.tar.gz
        >tar -xvf tab2bmrb.tar
    You will find:

    Source code, executables, and documentation for the following programs:

    tab2bmrb
    bmrb2tab
    calc_cs
    calc

Who wrote it?

Victor A. Jaravine, Dr
Dept. of Structural Biology, BIOZENTRUM, Basel university
Klingelbergstr. 70, BASEL CH-4056, Switzerland
tel: +41-61-2672106, fax: +41-61-2672109
email: Victor.Jaravine@unibas.ch
        

The programs were written for personal use. Later it seemed that they may be some use to other people, so a few comments appeared. If looked into the code it is not very regular and written in a somewhat personal notes manner. The programs are provided 'as is' and in principle are not supported. However, bug reports and suggestions are generally welcome.

What does it do?

 tab2bmrb - Utility to convert  protein NMR chem. shifts table to BMRB file format ; BMRB = BioMagResBank

 bmrb2tab - Utility to convert  BMRB file to chem. shifts table ;

 calc_cs -  Utility to calc random coil chem. shifts for given protein sequence;

 calc  -  Utility to calc average, power and length NMR pulses (approximately),
          1H H2O carrier temperature dependence, PHI angle from 3JHN(CA)HA coupling constant (see program for formulas).


 It is possible to type the name of the program without arguments to get helping comment.
 In principle, all programs are tested for correctness of produced results.