Validation Tools

Existing validation reports

• Validation reports: collections of AVS, LACS, and SPARTA generated files for existing, published BMRB entries

Pre-deposition data validation servers

• Chemical Shift vs Coordinate nomenclature - Checks that Chemical shift files use a nomenclature that matches with the Coordinates file. This is a requirement when depositing structures with ADIT-NMR.

• Protein Structure Validation Suite (PSVS) is a useful tool for the assesment of protein structures generated by NMR and X-ray methods. PSVS is broadly applicable for structure quality assessment in structure biology projects.

• iCing Validation Package is part of the Common Interface for NMR structure Generation (CING) package.

• Visualization server will generate DEVise sessions for uploaded NMR-STAR data tables (Linear Analysis of Chemical Shifts (LACS) visualizations can be generated only from a complete NMR-STAR 2.1 file).

• LACS report generator will create LACS validation report for NMR-STAR 2.1 assigned chemical shifts table.

• 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)

Data conversion tools

• STARch file converter converts data files in various formats to NMR-STAR 3.1.
  Input formats include NMRView, PIPP, Sparky, XEASY, as well as tab- and comma-delimited.

• NMR-STAR 3.1 table converter: converts NMR-STAR 3.1 data tables to NMR-STAR 2.1 or other formats including XEASY and Sparky.

• Format Converter from PDBe is a set of Python scripts that can read NMR data files and output them into a number of different formats. Here is an introduction to its usage and the download page.

Downloadable data validation software

• Wattos is a software package consisting of programs for analyzing, annotating, parsing, archiving, and disseminating experimental NMR data deposited by authors world wide into the PDB