electron density map

electron density map

a three-dimensional representation of the structure of a substance or molecular entity derived from x-ray diffraction analysis.
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Then it's up to the scientist to determine how the sequence of amino acids folds together in a way that both fits the electron density map and also is biochemically sound.
When we gave an electron density map to our students and had them move the amino acids around with a mouse and keyboard and fold the protein into the map, students loved it 6 some so much they found themselves ignoring their other homework in favor of our puzzle.
Resolution in terms of electron density is a measure of the resolvability in the electron density map of a molecule.
So resolution is a measure of the level of detail present in the diffraction pattern and the level of detail that will be seen when the electron density map is calculated.
This is because the crystal structure is solved using the electron density map, and the electrons of the hydrogen atom are mostly between the hydrogen and carbon atoms' nuclei in the sigma bond.
The final step in protein crystallography is model building, or determining coordinates of atoms from an electron density map.
The software program carries out all the steps of macromolecular structure determination from scaling data to calculation of an electron density map.
By comparing the resulting patterns of scattered X-rays for the two crystal variants, the researchers were able to "back-calculate' an electron density map that effectively shows the atomic structure of the molecule with a resolution of 3.
She begins with the fundamentals such as unit cell calculation, point groups reciprocal lattice, properties of X-rays, and electron density maps.
Some specific areas explored include proton charge transport in nafion nanochannels, optical properties of non-periodic dielectric systems made of nanostructured porous silicon, Fourier electron density maps for nanostructured sol-gel solids, and the effects of morphology on the electronic properties of hydrogenated silicon carbide nanowires.
Lowis adds, "Visualization enhancements and capabilities include interaction surfaces (Lee & Richards surface); H-bond and hydrophobic surface color trait; and enhanced isosurface generation and usability, especially for electron density maps.
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