From: Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
Name | Description |
---|---|
Create Surfaces | Create surface meshes from molecular orbital/ |
 | electron density data |
GAMESS | Prepare input files for GAMESS-US, featuring |
 | syntax highlighting, advanced properties |
Insert Fragment | Insert molecular fragments from a library of |
 | common fragments |
Insert Peptide | Build up and insert peptide fragments |
Molecular Mechanics | Use Open Babel’s force fields for geometry |
 | optimization and conformer searches |
MOPAC | Prepare input for and run MOPAC200x |
POV-Ray | Ray-trace the displayed structure using POV-Ray |
Properties | |
Angle Properties | Table of all bond angles (editable) |
Atom Properties | Table of all atoms with common properties |
Bond Properties | Table of all bonds with common properties |
Molecule Properties | Common properties of the molecule (including |
 | molecular weight, etc.) |
Torsion Properties | Table of all dihedral angles (editable) |
Spectra | Visualize spectra from output files |
Super Cell Builder | Expand atoms with space group, replicate |
 | specified repeats and perform simple bonding |
Unit Cell | Change crystallographic unit cell display and |
 | parameters |
Vibrations | Show and animate molecular vibrations |