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 field (chemi ...
force fields
In physics, a force is an influence that can cause an object to change its velocity unless counterbalanced by other forces. In mechanics, force makes ideas like 'pushing' or 'pulling' mathematically precise. Because the magnitude and direction ...
.
See also
*
Force field (chemistry)
In the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe the forces between atoms (or collections of atoms) within molecules or between mole ...
*
List of software for Monte Carlo molecular modeling
This is a list of computer programs that use Monte Carlo methods for molecular modeling.
* Abalone (molecular mechanics), Abalone classical Hybrid MC
* BOSS (molecular mechanics), BOSS classical
* CASINO quantum
* Cassandra classical
* CP2K
* FEAS ...
*
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 field (chemi ...
*
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 notable 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 ...
*
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 software
* ...
*
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 (chemistry)
Molecular modelling
Software comparisons