Open AccessVisual automated macromolecular model building
Author(s) -
Langer Gerrit G.,
Hazledine Saul,
Wiegels Tim,
Carolan Ciaran,
Lamzin Victor S.
Publication year - 2013
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
ISSN - 1399-0047
DOI - 10.1107/s0907444913000565
Subject(s) - model building , computer science , popularity , process (computing) , software , interpretation (philosophy) , human–computer interaction , building model , software engineering , artificial intelligence , simulation , programming language , psychology , social psychology , physics , quantum mechanics
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.