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.
Read more about Molecular Design Software: Comparative Table of Packages Covering The Major Aspects of Molecular Design
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—Henry David Thoreau (1817–1862)