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PsiViewer

PsiViewer is a Java OpenGL-based 3D-graphic visualization tool for viewing and analysis of results from quantum chemistry calculations.

Source: CSE-Online

Features

Graphic functions

1. Display molecules in Balls&Sticks, Sticks, Overlapping Spheres.
2. Plot iso-density surfaces in wireframes, solid, and transparent modes.
3. User-defined preferences for changing display options such as ball size and color, background color, etc.

Analysis functions

1. Measure bond distances and angles.
2. Plot of total electron density and molecular orbitals from Gaussian cube files
3. Animate vibrational modes.
4. Plot IR spectrum and Density of States.
5. Monitor geometry optimimation calculation.

Output functions

1. Save and Print image.

Supported software

1. Gaussian 98 and 03 outputs.

Known Problems

PsiViewer Snapshot