This is a table of notable computer programs implementing
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 ...
force fields
Force field may refer to:
Science
* Force field (chemistry), a set of parameter and equations for use in molecular mechanics simulations
* Force field (physics), a vector field indicating the forces exerted by one object on another
* Force field ( ...
.
See also
*
Force field (chemistry)
In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the function ...
*
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 cla ...
*
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 ...
*
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 chemi ...
*
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 ...
*
Comparison of software for molecular mechanics modeling
This is a list of computer programs that are predominantly used for molecular mechanics calculations.
See also
* Car–Parrinello molecular dynamics
*Comparison of force-field implementations
* Comparison of nucleic acid simulation softwar ...
*
Molecular modeling on GPU
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 ...
References
{{Reflist
Force fields
Molecular modelling
Software comparisons