Sentence examples for geometry restraints from inspiring English sources
The structure was further adjusted in COOT (Emsley and Cowtan, 2004) and refined in real space with secondary structure and geometry restraints using PHENIX (Adams et al., 2010).
To realistically determine the out-of-plane capacity, parameters like geometry, restraints, vertical loads and dynamic effects need to be considered.
Finite element modeling of compression and flexural specimens was carried out to determine the effect of tube interface friction, bond and geometry restraints.
Beside geometry restraints and factors such as accessibility and relative strength of H-bond donor and acceptor functions, the competition between alternative HBSs is governed by an interplay between internal energy contributions (from H-bond and non-H-bond molecule molecule interactions) and stabilisation effects arising from the packing of multiple HBS instances.
In this work, we develop a new method, called HAAD (Hydrogen Atom ADdition), for quickly constructing hydrogen atoms by combining local geometry restraints and conformational search.
When counting the number of clashed atom pairs, atom pairs with strong chemical geometry restraints, i.e. fewer than three covalent bonds apart, are excluded.
The geometry restraint information for refinement of the ligands (UDP and 3-phosphoglycerate) was determined with phenix.elbow [38].
Mobley et al [18] also pointed out that the equilibrium geometry of the restraints is arbitrary and will not affect the asymptotic estimate of the binding free energy.
The molecular geometry, refined with restraints, agrees with existing single-crystal data.
Rear crash protection is based on head-restraint geometry and the effects of a stationary vehicle being struck from the rear at 20 mph.
Knee stability is provided by a complex interaction of a multitude of factors, including cruciate and collateral ligaments, other soft-tissue restraints, condylar geometry, tibio-femoral loading forces at the joint interfaces and active muscular control and balance.
