BMRB Deposition Systems

ADIT-NMR NMR data deposition system.

Pre-deposition data validation.

Visualization server will generate DEVise visualizations for uploaded NMR-STAR 3.1 data tables.

CheckShift - Chemical Shift Reference Check - Center of Applied Molecular Engineering, the University of Salzburg, Austria. It works on NMR-STAR 2.1, SHIFTX or TALOS files. (Firefox is recommended for CheckShift)

Formatting tools, References, etc.

• STARch file converter -- converts data files in various formats to NMR-STAR 3.1 for upload to ADIT-NMR.
  Input formats include NMRView, PIPP, Sparky, XEASY, as well as tab- and comma-delimited.
• NMR-STAR template generator -- produces NMR-STAR 3.1 formatted tables for NMR data.
  See these for examples of NMR-STAR files.
• Ambiguity code assignment interface: simplifies assignment of chemical shift ambiguity codes.
• Reference information about atom nomenclature, standard chemical shifts, indirect chemical shift references, etc.

Submitting pulse programs

ASCII text files containing pulse sequences, text files describing the experiments, and other ancillary files can be submitted by anonymous ftp to "ftp.bmrb.wisc.edu". Please place the files in the incoming/pulse_sequence directory and notify BMRB by e-mail (bmrbhelp@bmrb.wisc.edu) that a pulse sequence has been deposited. Please indicate in the e-mail the names of all the files included in the submission.

Required:

• Brief title for the pulse sequence.
• Suggested location for the pulse sequence in the library.
• Concise description of what the pulse sequence is intended to provide.
• Spectrometer manufacturer and model(s) on which the pulse sequence is known to operate.
• Pulse sequence with phase cycling as an ASCII text file.
• Literature reference, if appropriate.
• Name(s) of author(s).

This information can be included as comments in the file containing the pulse sequence.

Optional:

• File containing a figure describing the pulse sequence. Please indicate the format of the file (postscript, GIF, MPEG, etc.).
• Files containing parameter lists used to execute the pulse sequence (shaped pulses, gradient programs, frequency lists, delay lists, etc.).

Sample Minimal Submission
Sample Fancy Submission

Submitting software and macros

ASCII text files containing the software macro can be submitted by anonymous ftp to "ftp.bmrb.wisc.edu". Please place the files in the incoming/macro_definition directory and notify BMRB by e-mail (bmrbhelp@bmrb.wisc.edu) that a program macro has been deposited. Please include the following information in the e-mail:

Required:

• Brief title for the processing macro.
• Suggested location or category for the macro in the library.
• Concise description of what the data processing macro is intended to provide.
• Software vendor, software product, and software version number compatible with the macro.
• A literature reference, if appropriate.
• The name(s) of the author(s) of the macro.

Optional:

• If control parameters or other information required for the macro to function is contained in ancillary files, please supply an example of those files.
• E-mail address, telephone number, or other contact information, if you are willing to provide assistance.