ThePDB_REDOserver for macromolecular structure model optimization
نویسندگان
چکیده
منابع مشابه
The PDB_REDO server for macromolecular structure model optimization
The refinement and validation of a crystallographic structure model is the last step before the coordinates and the associated data are submitted to the Protein Data Bank (PDB). The success of the refinement procedure is typically assessed by validating the models against geometrical criteria and the diffraction data, and is an important step in ensuring the quality of the PDB public archive [R...
متن کاملStructure model optimization
The outcome of the ab-initio crystal structure solution process by Direct Methods depends on not only the quality of the extracted integrated intensities but also the experimental resolution [1]. In fact, the limited experimental resolution distorts the Fourier synthesis even at atomic resolution: when the resolution is larger than 1 Å, the electron density map is an imperfect representation of...
متن کاملA new principle for macromolecular structure determination
Protein NMR spectroscopy is a modern experimental technique for elucidating the threedimensional structure of biological macromolecules in solution. From the data-analytical point of view, structure determination has always been considered an optimisation problem: much effort has been spent on the development of minimisation strategies; the underlying rationale, however, has not been revised. C...
متن کاملSTAR/mmCIF: An ontology for macromolecular structure
MOTIVATION Crystallographers were motivated 10 years ago to develop a simple and consistent data representation for the exchange and archiving of data associated with the crystallographic experiment and the final structure. As this process evolved (and the data grew at near exponential rates) came the recognition that this representation should also facilitate the automated management of the da...
متن کاملMacromolecular structure information and databases
PROGRESS IN GENETIC engineering, X-ray crystallography and Nuclear Magnetic Resonance (NMR) spectroscopy, and the advent of cheap and powerful computers, have brought about an exponential growth of data on macromolecular three-dimensional structures. Although the number of protein structures known today (approximately 3500) is still well below that of protein sequences (over 50 000), its growth...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: IUCrJ
سال: 2014
ISSN: 2052-2525
DOI: 10.1107/s2052252514009324