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| | Linux4Chemistry - Linux software for chemistry: molecular modeling, visualization, graphic, quantum mechanic, dynamic, ... |
 | | MacroModel is a molecular modeling software package which allows the user to construct and graphically manipulate both simple and complex chemical structures, to apply molecular mechanics and dynamics techniques to evaluate the energies and geometries of molecules in vacuo or in solution, and to display and examine graphically the results of the modeling calculations. |
 | | MOPAC2007 is a general-purpose semiempirical quantum mechanics package for the study of chemical properties and reactions in gas, solution, or solid-state. |
 | | Quantum is a pure physics based molecular docking software which calculates Kd of a protein-ligand complex, and ligand position in the protein active site. |
| www.redbrick.dcu.ie /~noel/linux4chemistry (9822 words) |
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