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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.
In chemical thermodynamics, the reaction quotient (Q r or just Q) [1] is a dimensionless quantity that provides a measurement of the relative amounts of products and reactants present in a reaction mixture for a reaction with well-defined overall stoichiometry at a particular point in time.
Coot is free software, distributed under the GNU GPL. It is available from the Coot web site [4] originally at the University of York, and now at the MRC Laboratory of Molecular Biology. Pre-compiled binaries are also available for Linux and Windows from the web page and CCP4, and for Mac OS X through Fink and CCP4. Additional support is ...
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] thermochemical recipes including G3(MP2) [6] and T1.
Calendar, previously known as iCal before OS X Mountain Lion, is a personal calendar app made by Apple Inc., originally released as a free download for Mac OS X v10.2 on September 10, 2002, before being bundled with the operating system as iCal 1.5 with the release of Mac OS X v10.3. It tracks events and appointments added by the user and ...
MAXQDA is a software program designed for computer-assisted qualitative and mixed methods data, text and multimedia analysis in academic, scientific, and business institutions. It is being developed and distributed by VERBI Software based in Berlin, Germany.
MOE runs on Windows, Linux, Unix, and MAC OS X. Main application areas: Structure-Based Design, Fragment-Based Design, Pharmacophore Discovery, Medicinal Chemistry Applications, Biologics Applications, Protein and Antibody Modeling, Molecular Modeling and Simulations, Cheminformatics & QSAR PSILO: A Protein Structure Database System [2]