Molecular Modeling for Educators™

• High Schools: $499
• Colleges or Universities with <2000 students: $799
• Colleges or Universities with >2001 students: $999

• Technical support (phone and email) including updates for one year: $500 additional
• One day of on-site training for Professors or Teachers: $500 plus travel expenses (Travel expenses are waived within a 90 mile radius of Philadelphia…request formal quote)
• Upgrade to Molecular Modeling Pro version which adds database creation and editing, substructure searching and calculation of over 100 physical properties from structure: $1000 additional
• Upgrade to Molecular Designer version which adds the features of Molecular Modeling Pro plus client-server database support and QSAR statistical analysis features: $2000 additional

• Draw 3-D molecules with a mouse
• Display as wire frame, ball and stick, dot surface, shaded spheres etc. Display with CPK colors, or colored by charge or lipophilicity. Rotate molecules in virtual 3-D space.
• MM2 and MOLY geometry minimization
• MOPAC version 6 and CNDO semi-empirical quantum methods included and interfaced with the program
• Conformational analysis. Molecule on molecule similarity analysis.
• Property calculations: Molecular weight, volume, surface area, dipole moment, hydrophilic surface area, percent hydrophilic surface area, moments of inertia, mass percent.
• Automated web page creation
• File formats: MDL Molfile, CML, MOPAC, MACROMODEL (1995), Brookhaven pdb (full input, output limited to atoms and bonds), SMILES (output only), Windows bitmap, JPEG (output only), HTML with JavaScript to handle molecule rotations.