The protein tertiary structure is defined by its atomic coordinates.
2.
Atomic coordinates and site occupancies are summarized in table II.
3.
Atomic coordinates and site occupancies are summarized in table III.
4.
Atomic coordinates of YB 22 C 2 N are summarized in table IVb.
5.
Atomic coordinates, site occupancy and isotropic displacement factors are listed in table Vb and the overall crystal structure is shown in figure 14.
6.
The " tertiary structure " of a protein or any other macromolecule is its three-dimensional structure, as defined by the atomic coordinates.
7.
Coot can be used to read files containing 3D atomic coordinate models of macromolecular structures in a number of formats, including pdb, mmcif, and Shelx files.
8.
The determination of molecular structure by geometry optimization became routine only after efficient methods for calculating the first derivatives of the energy with respect to all atomic coordinates became available.
9.
Having built an initial model, it is usual to check all of these and reconsider any parts of the model which are highlighted as problematic before deposition of the atomic coordinates with a public database.
10.
These drawings were made in pen on tracing paper over a printout of a C? trace of the atomic coordinates; they preserved positions, smoothed the backbone path, and incorporated small local shifts to disambiguate the visual appearance.
