Chem3D 8.0 Manual - CambridgeSoft

MM2applying constraints 15bond orders 127Compute Properties command 149Copy Measurements to Messages control 140Display Every Iteration control 140, 152, 177,182editing parameters 9Guessing parameters 140Minimize Energy dialog 139Minimum RMS Gradient 140, 152overview 139Properties tab 149property server 190References 9Restrict Movement of Select Atoms 140, 147tutorial example 23, 27MM2 Atom Types table 15, 27MM2 Constants table 16, 25MNDO 178MNDO-d 137Modelarea 6data 89parts 10Settings control panels 73settings, changing 73size 68turns black on rotation 65type 73window 6Model Display control panel 76Model Tablesclosing 14showing 14Modelsclosing 43creating 37creating with templates 38discarding changes 43new 37, 38opening 37saving 41mol file extension 38mol file formatdescription 112exporting 106importing 38MOL See MDL MolFile 43Molar Refractivity, ChemProp Pro 189Molecular DynamicsJob Type tab 147overview 145settings 146Molecular electrostatic potential surfacecalculation types required 82definition 89Molecular Electrostatic Potential Surface dialog 89Molecular Formula, ChemProp STD 188Molecular mechanicsbrief theory 121limitations 116parameters 121speed 117uses 117Molecular orbitalscalculation types required 82definition 89mapping onto surfaces 88tutorial example 32Molecular shape 88IndexChem3D 8 Index • xi