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Ticari Yazılımlar |
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Cerius2 |
QSPR, QSAR, visualization, structure refinement, MOPAC, LigandFit, IR/Raman
prediction, ... |
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ChemOffice |
Structure
Drawing, Modeling, Databases, ... |
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Sadtler
Suite |
Structure Drawing, Spectral Analysis, simple 3D, ... |
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SYBYL |
:Modular suite of software, modules:
SYBYL/Base, UNITY, Biopolymer, Composer, Matchmaker, GeneFold, ProTable, GASP,
RECEPTOR, DISCO, QSAR, CoMFA, HQSAR, TRIAD, DIANA, CAPRI, MADRIGRAS+, FlexX,
Legion, CombiLibMaker, Selector, DiverseSolution, CombiCONCORD and MolCAD |
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Shareware/Freeware |
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Chem2Pac |
İntegrates MOPAC, RasMol, Mol2Pov, PovRay, Babel, a
conformational search module, ... |
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GROMACS |
Fully automated topology builder for proteins, molecular
dynamics, leap-frog integrator, position langevin dynamics,
normal mode analysis, electrostatics, non-equilibrium MD, NMR
refinement with NOE data, large number of powerful analysis
tools, ... |
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WinGX |
Solving,
refining and analysing single crystal X-ray diffraction data for
small molecules |
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Kaynak: |
http://www.claessen.net/chemistry/index.html |
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