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[wwPDB] Preprint Published on NMR Restraint Validation Graphical Abstract This manuscript addresses this challenge of validation of experimental biomolecular NMR structures against restraint data. The NMR exchange (NEF) and NMR-STAR formats provide a standardized approach for representing commonly used NMR ... |
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[wwPDB] Updated Annotation and Standardization of Peptide Residues In October 2023, the wwPDB will roll out updated Chemical Component Dictionary (CCD) data files with standardized atom naming and additional annotation of protein backbone and terminal atoms within peptide residues. Entries containing those updated CCDs ... |
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How can I submit a hybrid structure factor data with two datasets(x-ray/neutron)?- FAQ Q) How can I submit a hybrid structure factor data with two datasets(x-ray/neutron)? A) You can generate a structure factor data with the following procedures. (original.mtz contains as follows; I-obs-xray SIGI-obs-xray R-free-flags-xray I-obs-neutron ... |
[wwPDB] wwPDB NMR restraint remediation conforms to standard NMR-STAR and NEF format NMR data files are standardized in NEF and NMR-STAR format [Ulrich, 2019] for the PDB entries which have NMR data in many different software specific formats. This remediation project provides unified NMR data in single NMR-STAR/NEF file for the PDB ... |
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