338 Database entries


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OS: Linux, Windows, Mac


OpenGL graphics engine for high quality graphics (staring with version 9.0)
Easy, intuitive builder for Organic, Bio, and Organometallic molecules
Builders for Peptides, Sugars, Nucleic Acids
Geometry optimization using molecule mechanics force fields - MMX, MM3, MMFF94, Amber or Oplsaa
Central force field model for Organometallic molecules
Conformational searching using any of the included force fields
Compute Normal Vibrational Modes
Query distance, angles, dihedrals and nmr coupling constants
Now including semi-empirical molecular orbital calculations
Interfaces to many quantum chemistry programs including Gaussian, Gamess, PQS, ADF, Turbomole, Q-Chem
Read and Write many types of chemical information files including: PDB,SDF,MM3, Macromodel, Sybyl, Alchemy,
MDL-Mol, Gaussian, Gamess, Jaguar, Mopac, Ampac, Hondo, ADF, PQS, Turbomole, Chem-3D, Tinker, Smiles
Make and Play Movies (avi and quicktime formats)
Docking of small molecules

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