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ADIT-NMR
A single tool that allows you to deposit at both PDB and BMRB.
(Most new depositions start here.)
An overview of ADIT-NMR is available for new users.
SMSDep
(New)
Small Molecule Structure Deposition System.
Only those structures which are too small for PDB to accept may be deposited here.
Read this page first
for the precise purpose and criteria for the SMSDep deposition system.
The prefered file format for NMR data files is NMR-STAR, a Self-defining Text Archival and Retrieval
format (STAR). STARch is a software tool that can convert data
files from various formats, including PIPP, XEASY, and tab-delineated files generated from
common spreadsheets into NMR-STAR format.
Individual data files, along with the information you enter about your study will be
collated into one large NMR-STAR file. An excellent example of an NMR-STAR file with
a number of types of data is bmr4267.str,
Apo-HNGAL Human Neutrophil Gelatinase-Associated Lipocalin.
Time domain data (raw spectral data) is uploaded seperately via ftp. These are the
instructions on how to upload time domain data.
Pre-deposition data validation.
Visualization server will generate DEVise
visualizations for uploaded NMR-STAR 3.1 data tables.
Formatting tools, References, etc.
- New 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.
- Old version of STARch converter: chemical shifts only.
- New NMR-STAR template generator -- produces
NMR-STAR 3.1 formatted tables for NMR data.
See these for examples of NMR-STAR files.
- Old version of NMR-STAR Template Generators
- Reference information about atom
nomenclature, standard chemical shifts, indirect chemical shift references, etc.
- The
AQUA Validation Server - a suite of programs for analyzing the quality of
biomolecular structures
- The Chemical Shift Reference Check
- From LFE Bioinformatik. It works on NMR-STAR 2.1, SHIFTX or TALOS files.
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