Sentence examples for refinement package from inspiring English sources
The structures were solved with the olex2.solve [47] structure solution program using Charge Flipping and refined with the olex2.refine [48] refinement package using Gauss-Newton minimisation.
The structures obtained were refined with the PHENIX refinement package phenix.refine [33] where intermittent model building was performed by using COOT [34].
The structure obtained was further refined with the PHENIX refinement package phenix.refine [51] with iterative manual model building in COOT followed by density modification and refinement with phenix.refine.refine
The structure was solved using Olex2, and the olex2.solve structure solution program and refined within the XL refinement package using least squares minimization.
3. Borbulevych OY, Plumley JA, Martin RI, Merz Jr KM, Westerhoff LM: Accurate Macromolecular Crystallographic Refinement Accuratee macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package.
We have implemented a reference interface to the NIH version of the X-PLOR structure refinement package and we show that the module provides superior torsion-angle dynamics functionality relative to the native X-PLOR implementation.
That was a natural consequence of the route by which they had been developed, building on the structure refinement packages in common use by the small-molecule crystallographic community.
Subsequent manual rebuilding with interactive tools such as Coot (Emsley et al., 2010 ▸) and refinement using standard refinement packages (Murshudov et al., 2011 ▸; Afonine et al., 2012 ▸) yield results of similar quality as models derived from X-ray diffraction data to the same resolution (Nannenga, Shi, Hattne et al., 2014 ▸; Nannenga, Shi, Leslie & Gonen, 2014 ▸).
SAN FRANCISCO — Apple updated the iPad on Wednesday with a high-definition screen, a faster wireless connection and several other refinements, all packaged in a device without any major design changes.
Based on the experimental powder diffraction data, the unit cell dimensions and positional and displacement parameters of atoms in the La1−x Sm x FeO3 structures were derived by full profile Rietveld refinement technique using software package WinCSD [23].
During extensive testing, both models forged convincing arguments as class leaders for packaging, refinement and overall performance.
