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Gaussian特設ページはこちらから↓↓
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Features
- Rotate, translate and zoom in 3D in any display using mouse operations or a precision positioning toolbar
- View numeric value for any structural parameter
- Use multiple synchronized or independent views of same structure (customizable)
- Manipulate multiple structures individually or as an ensemble
- Display formats: wire frame, tubes, ball & stick/bond type, space fill (CPK) style
- View per-atom labels for element, serial number, NMR shielding (when available)
- Visualize depth with fog feature
- Display stereochemistry info
- Highlight, display or hide atoms based on rich selection capabilities (optionally persistent)
- Convenient palettes for atoms, functional groups, rings, amino acids (central fragment, amino- or carboxyl-terminated) and nucleosides (central fragment, C3’-, C5’-terminated, free forms)
- Custom fragment libraries
- Import standard molecule file formats
- Accurately add hydrogens automatically or manually to an entire molecule or to selected residues or secondary structures
- An advanced open dialog, allowing options to be modified and retained
- Modify bond type/length, bond angles, dihedral angles
- Rationalize structures with an advanced Clean function
- Recompute bonding on demand
- Constrain structure to specific point group symmetry; ability to reduce symmetry to a specified subgroup
- Mirror invert structure
- Invert structure about selected atom
- Place atom/fragment at centroid position of selected atoms
- Define named groups of atoms
- Specify nonstandard isotopes
- Customize fragment placement behavior
- Specify bonding based on geometry: distances between atoms
メーカーの製品サイト
http://gaussian.com/gv6new/
【種別】シェアウェア
【言語】英語