title: Visual automated macromolecular model building.
abstract: Automated model-building software aims at the objective interpretation of crystallographic diffraction data by means of the construction or completion of macromolecular models. Automated methods have rapidly gained in popularity as they are easy to use and generate reproducible and consistent results. However, the process of model building has become increasingly hidden and the user is often left to decide on how to proceed further with little feedback on what has preceded the output of the built model. Here, ArpNavigator, a molecular viewer tightly integrated into the ARP/wARP automated model-building package, is presented that directly controls model building and displays the evolving output in real time in order to make the procedure transparent to the user.
authors.affiliation: European Molecular Biology Laboratory, c/o DESY, Hamburg, Germany.
authors.forename: Gerrit G
authors.initials: GG
authors.lastname: Langer
authors.forename: Saul
authors.initials: S
authors.lastname: Hazledine
authors.forename: Tim
authors.initials: T
authors.lastname: Wiegels
authors.forename: Ciaran
authors.initials: C
authors.lastname: Carolan
authors.forename: Victor S
authors.initials: VS
authors.lastname: Lamzin
mesh_terms: D000465:Algorithms; D001426:Bacterial Proteins / Q000138:chemical synthesis; D019295:Computational Biology / Q000295:instrumentation / Q000379:methods*; D003196:Computer Graphics; D019020:Directed Molecular Evolution / Q000295:instrumentation / Q000379:methods*; D046911:Macromolecular Substances / Q000138:chemical synthesis*; D008958:Models, Molecular; D011506:Proteins / Q000138:chemical synthesis; D012984:Software; D013295:Streptococcus mutans / Q000737:chemistry; D058609:Visual Field Tests / Q000295:instrumentation / Q000379:methods*
chemical_list: D001426:Bacterial Proteins; D046911:Macromolecular Substances; D011506:Proteins
keywords: ARP/wARP; model building; molecular graphics