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Coot displays electron density maps and atomic models and allows model manipulations such as idealization, real space refinement, manual rotation/translation, rigid-body fitting, ligand search, solvation, mutations, rotamers, and Ramachandran idealization. The software is designed to be easy-to-learn for novice users, achieved by ensuring that ...
The Independent Atom Model (abbreviated to IAM), upon which the Multipole Model is based, is a method of charge density modelling. It relies on an assumption that electron distribution around the atom is isotropic, and that therefore charge density is dependent only on the distance from a nucleus.
Consider the average number of particles with particle properties denoted by a particle state vector (x,r) (where x corresponds to particle properties like size, density, etc. also known as internal coordinates and, r corresponds to spatial position or external coordinates) dispersed in a continuous phase defined by a phase vector Y(r,t) (which again is a function of all such vectors which ...
In geotechnical engineering, a nuclear densometer or soil density gauge is a field instrument used to determine the density of a compacted material. The device uses the interaction of gamma radiation with matter to measure density, either through direct transmission or the "backscatter" method. The device determines the density of material by ...
In a simulation, the potential energy of an atom, , is given by [3] = (()) + (), where is the distance between atoms and , is a pair-wise potential function, is the contribution to the electron charge density from atom of type at the location of atom , and is an embedding function that represents the energy required to place atom of type into the electron cloud.
A litter of two-week old puppies was crammed into a bucket and abandoned alongside a road in Union County, New Jersey on Thursday, police said. The nine puppies were found...
Israel said on Monday it had met most demands by the United States to improve humanitarian conditions in Gaza but was still discussing some items as a deadline looms to improve the situation or ...
In agriculture, a soil test commonly refers to the analysis of a soil sample to determine nutrient content, composition, and other characteristics such as the acidity or pH level. A soil test can determine fertility , or the expected growth potential of the soil which indicates nutrient deficiencies, potential toxicities from excessive ...