L
Luc J. Bourhis
Researcher at Bruker
Publications - 10
Citations - 21452
Luc J. Bourhis is an academic researcher from Bruker. The author has contributed to research in topics: Software & Interpreted language. The author has an hindex of 6, co-authored 10 publications receiving 15684 citations. Previous affiliations of Luc J. Bourhis include Durham University.
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Journal ArticleDOI
OLEX2: a complete structure solution, refinement and analysis program
TL;DR: OLEX2 seamlessly links all aspects of the structure solution, refinement and publication process and presents them in a single workflow-driven package, with the ultimate goal of producing an application which will be useful to both chemists and crystallographers.
Journal ArticleDOI
The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment – Olex2 dissected
TL;DR: An in-depth presentation is given of olex2.refine, the new refinement engine integrated in the Olex2 program.
Journal ArticleDOI
iotbx.cif: a comprehensive CIF toolbox.
Richard J. Gildea,Richard J. Gildea,Luc J. Bourhis,Oleg V. Dolomanov,Ralf W. Grosse-Kunstleve,Horst Puschmann,Paul D. Adams,Judith A. K. Howard +7 more
TL;DR: CIF.iotbx.cif is a comprehensive toolbox for the development of applications that make use of the CIF format.
Journal ArticleDOI
Accurate crystal structures and chemical properties from NoSpherA2
Florian Kleemiss,Oleg V. Dolomanov,Michael Bodensteiner,Norbert Peyerimhoff,Laura Midgley,Luc J. Bourhis,Alessandro Genoni,Lorraine A. Malaspina,Dylan Jayatilaka,John L. Spencer,Fraser White,Bernhard Grundkötter-Stock,Simon Steinhauer,Dieter Lentz,Horst Puschmann,Simon Grabowsky +15 more
TL;DR: A robust and fast system where modern chemical structure models replace the old assumptions, leading to correct structures from the model refinement against standard in-house diffraction data using no more than widely available software and desktop computing power is devised.
Journal ArticleDOI
OLEX2 – a complete package for molecular crystallography
TL;DR: In this article, a general system allows the implementation of any constraint, which has been used to provide all ShelXL constraints as well as some new constraints, and all ShelX restraints have also been implemented.