Nucleic Acids Research, 2008, Vol. 36, Database issue D405 Figure 1. DEVise interactive data visualization for data from BMRB entry 5991 [(39); BMRB accession code 5991] with a model from PDB entry 1R36 [(39); PDB accession code 1R36]. In the ﬁgure, the kinds of data that can be plotted are listed on the left, with the ‘HA delta chem shift’ selected, and the plot shown at the bottom of the visualization. A stretch of strong positive delta chemical shift values (indicative of a b-strand) is selected by placing the box around the values in the bar graph plot. These values are highlighted in green, and the corresponding residues are colored in green in the ribbon diagram of the PDB model (rendered using Jmol) present at the center of the visualization. The selected residues are highlighted in the window that displays the protein sequence. that were diﬃcult to access. BMRB, through close collaboration with members of the CCPN group, the EBI-MSD team and the Universities of Utrecht and Nijmegen, recently developed tools (i) to parse the vast majority of the restraints data from the PDB into the NMR-STAR format, (ii) to make the atom nomenclature in the parsed ﬁles consistent with the corresponding atomic coordinates and (iii) to ﬁlter the restraints to remove redundant, duplicate, inconsistent and other values that do not contribute to the structure calculation (29,30). The derived data, currently representing over 3600 PDB entries, are available at BMRB in the ‘parsed’ database, Database of Converted Restraints (DOCR) and Filtered Restraints Database (FRED), collectively called the ‘NMR Restraints Grid.’ Table 1 contains statistics for the PDB entries used to construct the databases. The NMR Restraints Grid provides an interface for locating entries with speciﬁc kinds of restraints (distance, torsion angle, residual dipolar coupling, etc.) and links to the PDB entry that is the source of the data. Data from previous implementations of the FRED database have been used by several groups to recalculate 3D structures (31–34). Table 1. NMR Restraints Grid statisticsa PDB entry sets Total PDB entries Total PDB NMR entries Total PDB NMR entries in DOCR and FRED NMR entries with parsable restraintsb NMR entries with parsable distance restraintsb Total NMR entries with restraints parsing and matching issuesc <80% restraints linked to coordinates (DOCR) <33% restraints remaining after ﬁltering (FRED) Maximum distance violations >2 A˚ RMS distance violations >0.25 A˚ Entry counts 42 073 6587 3620 3233 3202 419 184 100 209 151 aThe reported statistics were collected on 13 September 2007. bRestraints ﬁles in the formats used by the software packages X-PLOR, CYANA, Discover, Amber and EMBOSS can be parsed. cEntries with parsing and matching issues are the result of limitations of the software used to carry out these functions and not indicative of the quality of the data in the ﬁles. The total number of these entries is smaller than the sum of the entries for the subheadings as many entries have more than one type of issue.