Automatic rebuilding and optimization of crystallographic structures in the Protein Data Bank

作者：Joosten Robbie P^*; Joosten Krista; Cohen Serge X; Vriend Gert; Perrakis Anastassis

来源：Bioinformatics, 2011, 27(24): 3392-3398.

DOI：10.1093/bioinformatics/btr590

Results: We developed new algorithms to allow automatic rebuilding and remodeling of main chain peptide bonds and side chains in crystallographic electron density maps, and incorporated these and further enhancements in the PDB_REDO procedure. Applying the updated PDB_REDO to the oldest, but also to some of the newest models in the PDB, corrects existing modeling errors and brings these models to a higher quality, as judged by standard validation methods.

• 出版日期2011-12-15