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 chemistry, such software directly supports the aspects related to constructing molecular models, including:
Molecular graphics interactive molecular drawing and conformational editing building polymeric molecules, crystals, and solvated systems partial charges development geometry optimization support for the different aspects of force field development
Comparison of software covering the major aspects of molecular design
Notes and references
See also
External links molecular design IUPAC term definition. Journal of Computer-Aided Molecular Design Molecular Modeling resources Materials modelling and computer simulation codes Click2Drug.org Directory of in silico (computer-aided) drug design tools. Journal of Chemical Information and Modeling Journal of Computational Chemistry