DrawProfile is a powerful graphical interface for visualizing and analyzing the energy profile along an optimization, along a reaction coordinate, or along a distance, angle or dihedral angle PES scan.
Features
With DrawProfile, you can:
- Trace energy during a geometry optimization.
- Trace 1D and 2D energy sweep.
- Trace energy profile along a reaction coordinate.
- Trace energy relative to a reference value.
- Select energy unit between Hartree, eV, cal/mol, kcal/mol, J/mol, kJ/mol values.
- Trace the change of a distance, angle or dihedral angle along the x-axis.
ATTENTION: DrawProfile mainly opens Gaussian (www.gaussian.com) and Gamess US (http://www.msg.ameslab.gov/gamess) log files.
Citation
If you use DrawProfile for your scientific work, please cite the DrawProfile program in your articles:
"DrawProfile, Vincent LIEGEOIS, UNamur, www.unamur.be/drawprofile"
All articles that cite DrawProfile will be listed on this page.
Get DrawProfile
This application is available exclusively on mac from macOS 10.15 Catalina on the mac App Store.