Sentence examples for used for structural refinement from inspiring English sources

REFMAC537 was used for structural refinement.

Red circles with indices show diffraction spots used for structural refinement.

Therefore, NMR data used for structural refinement were collected at pH 5.3.

The SHELXL97 program was used for structure refinement and interpretation.

Rietveld refinements were used for structural analysis.

The open software Ovito is used for structural visualization80.

In that report, the authors identified seven cross-links, one of which involves IGBP1 Lysince since the known structure for IGBP1 encompasses residues 1 221, this cross-link is not used for the structural refinement.

This 3D model (available as Supplementary data) could be used as C1-dictionary data for structural refinement, protein docking or structure-based design.

Based on this alignment and the corresponding three-dimensional human GK structure, we then predicted the structure of the analogous feline protein via the Modeller program [ 23], using default simulated annealing cycles for structural refinement.

Chemical structures of both inhibitors were drawn using ChemSketch55 (Advanced Chemistry Development, Inc. (ACD/Labs)), and then regularization and chemical restraint parameters for structural refinement were generated using JLigand56.

Although a set of only a few (∼10 20) low-frequency normal modes is sufficient in most cases for structural refinement, one can also use rotational/translational modes to further improve the rigid-body fit into the density map.