Sentence examples for restraints were generated from from inspiring English sources

Dihedral angle restraints were generated from backbone chemical-shift data using TALOS [ 20].

Distance restraints were generated from spectra with mixing times between 50 and 150 ms, to minimize contributions from spin diffusion.

Distance restraints were generated from cross-peaks in 75 ms mixing time NOESY spectra using (1/ r) scaling.

In addition, backbone phi and psi dihedral angle restraints were generated from Cα and Cβ chemical shifts using the program TALOS+ [ 37].

The structure of lactose and the accompanying refinement restraints were generated using the CCP4 program Monomer Library Sketcher.

Secondary structure restraints were generated in ProSMART (Nicholls et al., 2012 ), and nucleic acid base-pairing and stacking restraints were generated as before (Amunts et al., 2014 ) and were maintained throughout refinement to prevent overfitting.

Secondary structure restraints were generated in ProSMART (Nicholls et al., 2012), and nucleic acid base-pairing and stacking restraints were generated as before (Amunts et al., 2014) and were maintained throughout refinement to prevent over-fitting.

PDB files and CIF restraints for ligands were generated from SMILES strings using eLBOW or GRADE Global PhasingGRADE Global Phasing

Distance restraints for structural calculations were generated from the NOESY spectra (τm = 200 ms) using XEASY software [46] and by classifying NOE cross-peaks as strong (1.8 2.5 Å), medium (2.5 3.5 Å) and weak (3.5 5.5 Å) based on the volume of the respective cross-peaks [47], calculated by taking as reference the distance of 1.78 Å between two non-equivalent geminal protons.

methylotrophus W3A1 MDH structure, and the library of restraints was generated using the eLBOW program available in Phenix.

Embryos were generated from natural crosses.