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Molecular design software : ウィキペディア英語版
Molecular design software
Molecular design software is software for molecular modeling, that provides special support for developing molecular models ''de novo''.
In contrast to the usual molecular modeling programs such as the molecular dynamics and quantum chemistry programs, such software directly supports the aspects related to the construction of molecular models:
* Molecular graphics
* interactive molecular drawing and conformational editing
* building of polymeric molecules, crystals and solvated systems
* partial charges development
* geometry optimization
* support for the different aspects of Force Field development
* ''etc''.
==Comparative table of packages covering the major aspects of molecular design==

3D - Molecular Graphics,
Mouse - drawing molecule by mouse,
Poly - polymer building,
DNA - Nucleic acid building,
Pept - Peptide building,
Cryst - crystal building,
Solv - solvent addition,
Q - partial charges,
Dock - docking,
Min - optimization,
MM - Molecular mechanics,
QM - Quantum mechanics.
FF - Support for Force Field development.
QSAR - 2D, 3D and Group QSAR.

抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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