List Of Software For Molecular Mechanics Modeling
   HOME

TheInfoList



Click Here for Items Related To - List Of Software For Molecular Mechanics Modeling
OR:
List Of Software For Molecular Mechanics Modeling on:   [Wikipedia]   [Google]   [Amazon]

This is a list of computer programs that are predominantly used for
molecular mechanics Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Mo ...
calculations.


See also

*
Car–Parrinello molecular dynamics Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics (also known as the Car–Parrinello method) or the computational chemistry software package used to implement this method. The CPMD method is one of th ...
*
Comparison of force-field implementations This is a table of notable computer programs implementing molecular mechanics Force field (chemistry), force fields. See also *Force field (chemistry) *List of software for Monte Carlo molecular modeling *Molecular mechanics *Molecular design ...
*
Comparison of nucleic acid simulation software This is a list of notable computer programs that are used for nucleic acid Nucleic acids are biopolymers, macromolecules, essential to all known forms of life. They are composed of nucleotides, which are the monomers made of three components: ...
*
List of molecular graphics systems This is a list of notable software systems that are used for visualizing macromolecules. Key The tables below indicate which types of data can be visualized in each system: See also * Biological data visualization * Comparison of nucleic ...
*
List of protein structure prediction software This list of protein structure prediction software summarizes notable used software tools in protein structure prediction, including homology modeling, protein threading, ''ab initio'' methods, secondary structure prediction, and transmembrane ...
*
List of quantum chemistry and solid-state physics software Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT) ...
*
List of software for Monte Carlo molecular modeling This is a list of computer programs that use Monte Carlo methods for molecular modeling. * Abalone classical Hybrid MC * BOSS classical * Cassandra classical * CP2K * FEASST classical * GOMC classical * MacroModel classical * Materials Studio cl ...
*
List of software for nanostructures modeling This is a list of computer programs that are used to model nanostructures at the levels of classical mechanics and quantum mechanics. Furiousatoms- a powerful software for molecular modelling and visualization * Aionics.io - a powerful platform ...
*
Molecular design software Molecular design software is notable software for molecular modeling, that provides special support for developing molecular models ''de novo''. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemis ...
*
Molecular dynamics Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the ...
*
Molecular modeling on GPUs Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, NVIDIA introduced video cards that could be used not only to show graphics but also for scientific calculations. These cards ...
*
Molecule editor A molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, v ...


Notes and references


External links


SINCRISLinux4ChemistryWorld Index of Molecular Visualization ResourcesOpenScienceMaterials modelling and computer simulation codesA few tips on molecular dynamicsatomistic.software - atomistic simulation engines and their citation trends
{{DEFAULTSORT:Molecular mechanics modeling software Computational chemistry software Computational chemistry Software comparisons Molecular dynamics software Molecular modelling software Science software