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The wwPDB maintained the specifications of the PDB file format and its XML alternative, PDBML. There was a fairly major change in PDB format specification (to version 3.0) in August 2007, and a remediation of many file problems in the existing database. [3] The typical file extension for a PDB file was .pdb, although some older files used .ent ...
chemical file format An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.
This file contains additional information, probably added from the digital camera or scanner used to create or digitize it. If the file has been modified from its original state, some details may not fully reflect the modified file.
The effects of reactor type on dispersity depend largely on the relative timescales associated with the reactor, and with the polymerization type. In conventional bulk free radical polymerization, the dispersity is often controlled by the proportion of chains that terminate via combination or disproportionation. [ 10 ]
In physical chemistry and chemical engineering, extent of reaction is a quantity that measures the extent to which the reaction has proceeded. Often, it refers specifically to the value of the extent of reaction when equilibrium has been reached.
Chemical similarity (or molecular similarity) refers to the similarity of chemical elements, molecules or chemical compounds with respect to either structural or functional qualities, i.e. the effect that the chemical compound has on reaction partners in inorganic or biological settings.
Mercury in a glass flask is a good example of the effects of the ratio between cohesive and adhesive forces. Because of its high cohesion and low adhesion to the glass, mercury does not spread out to cover the bottom of the flask, and if enough is placed in the flask to cover the bottom, it exhibits a strongly convex meniscus, whereas the ...
Field effects are typically associated with the alignment of a dipole field with respect to a reaction center. [5] Since these are through space effects, the 3D structure of a molecule is an important consideration. A field may be interrupted by other bonds or atoms before propagating to a reactive site of interest. [6]