User:Wayne Decatur/Molecular modeling tools
From Proteopedia
- Schrödinger Molecular Modeling Platform - Small Molecule and Macromolecule Modeling and Simulations.
- Accelrys Discovery Studio - Accelrys and Symyx merged effective July 1, 2010.
- Rosetta Software Suite includes Modeling abilities and as a related package, there is PyRosetta - an interactive Python-based interface for Interactive Molecular Modeling.
- TINKER - Software Tools for Molecular Design.
- PyMol is primarily a molecular viewer but allows some changes to be made. Schrödinger took over development of PyMol after Warren DeLano's unexpected passing on November 3, 2009
- YASARA
- UCSF Chimera
- Ascalaph Designer
Related
- Symyx JDraw Applet - "In addition to accessing the no-fee Symyx Draw desktop application, students, teachers, and researchers working in a non-commercial setting can now access capabilities for rapidly drawing chemical structures and chemically intelligent queries in Web applications–capabilities built on industry-leading Symyx chemistry representation technology."
- CheMagic and the Jmol Virtual Molecular Model Kit Jmol & JME enabling users to generate molecular models; user generated Jmol models can also be created using ACD/Labs’ ChemSketch.
- Jmol on its own now has some ability to be directly used as a chemistry modeling kit for small molecules and there is a responsive docking ability for moving/sculpting small molecules relative to large molecules in the works.
See Also
List of software for molecular mechanics modeling at Wikipeida although thoroughness and how current it is are subject to question by the inclusion of RasMol which is simply a viewer with no modeling abilities that has been supplanted by better viewers such as Chime and Jmol not included on the list.
