atomic coordinate वाक्य
उदाहरण वाक्य
मोबाइल
- The protein tertiary structure is defined by its atomic coordinates.
- Atomic coordinates and site occupancies are summarized in table II.
- Atomic coordinates and site occupancies are summarized in table III.
- Atomic coordinates of YB 22 C 2 N are summarized in table IVb.
- Atomic coordinates, site occupancy and isotropic displacement factors are listed in table Vb and the overall crystal structure is shown in figure 14.
- The " tertiary structure " of a protein or any other macromolecule is its three-dimensional structure, as defined by the atomic coordinates.
- 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.
- 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.
- 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.
- 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.
- A large boost was given to the applicability of comprehensive validation for both x-ray and NMR as of February 1, 2008, when the worldwide Protein Data Bank ( wwPDB ) made mandatory the deposition of experimental data along with atomic coordinates.
- Insertion of this in to the Hellmann Feynman theorem returns the force on the x-component of the given nucleus in terms of the electronic density ( " ? " ( "'r "') ) and the atomic coordinates and nuclear charges:
- There is no formal standard and several variations exist, but a typical XYZ format specifies the molecule geometry by giving the number of atoms with Cartesian coordinates that will be read on the first line, a comment on the second, and the lines of atomic coordinates in the following lines.
- Atomic coordinates, site occupancies and isotropic displacement factors are listed in table VII . Although a very small amount of carbon ( less than 2 wt % ! ) plays an important role in the phase stability, carbon does not have its own sites but shares with boron two interstitial sites B / C15 and B / C16.
- During 1985-1987 Tsu served as the amorphous silicon program group leader at the National Renewable Energy Laboratory ( then known as SERI, Solar Energy Research Institute ) in Golden, CO . His theoretical derivation of the relationship between the optical absorption and disorder in amorphous silicon and germanium in terms of fundamental constants shows that the slope of the Tauc plot is uniquely determined by the oscillator strength of the transition, the deformation potential and the mean deviation of the atomic coordinates obtained from the RDF.
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