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Acta Crystallogr D Biol Crystallogr. 2013 Apr;69(Pt 4):635-41. doi: 10.1107/S0907444913000565. Epub 2013 Mar 14.

Visual automated macromolecular model building.

Author information

1
European Molecular Biology Laboratory, c/o DESY, Hamburg, Germany.

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.

KEYWORDS:

ARP/wARP; model building; molecular graphics

PMID:
23519672
PMCID:
PMC3606041
DOI:
10.1107/S0907444913000565
[Indexed for MEDLINE]
Free PMC Article

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