Search results
Results from the WOW.Com Content Network
A chemical file format is a type of data file which is used specifically for depicting molecular data. One of the most widely used is the chemical table file format, which is similar to Structure Data Format files. They are text files that represent multiple chemical structure records and associated data fields.
SDF is one of a family of chemical-data file formats developed by MDL; it is intended especially for structural information. "SDF" stands for structure-data format, and SDF files actually wrap the molfile (MDL Molfile) format. Multiple records are delimited by lines consisting of four dollar signs ($$$$). A key feature of this format is its ...
Print/export Download as PDF; ... Pages in category "Chemical file formats" ... This list may not reflect recent changes. Chemical file format; C. CCP4 (file format ...
The XYZ file format is a chemical file format. 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. [ 1 ]
Chemical Profiles (The Innovation Group) Chemical Information from ImageWave; Chemistry resources is a collection of links and references that are useful for chemistry-related work. This includes free online chemical databases, publications, patents, computer programs, and various tools.
The native file formats for ChemDraw are the binary CDX and the preferred XML-based CDXML formats. ChemDraw can also import from, and export to, MOL , SDF , and SKC chemical file formats. Plugins
The state of aggregation for thermodynamic purposes is the standard state, sometimes called the reference state, and defined by specifying certain conditions. The normal standard state is commonly defined as the most stable physical form of the substance at the specified temperature and a pressure of 1 bar or 1 atm.
For example, a chemical database might store a molecule with stereochemistry unspecified, whereas a chemical registry system requires the registrar to specify whether the stereo configuration is unknown, a specific (known) mixture, or racemic. Each of these would be considered a different record in a chemical registry system.