DrawProfile at Mac App Store analyse

DrawProfile is a powerful graphical interface to visualise and analyze the energy profile along an optimization, along a reaction coordinate, or along a distance, angle or dihedral angle PES scan. CITATION If you use DrawProfile for your scientific work, please site DrawProfile program in your papers: DrawProfile, Vincent LIEGEOIS, UNamur, www.unamur.be/drawprofile All papers that cite DrawProfile will be listed on the website FUNCTIONALITIES With DrawProfile, you can: A) Plot the energy during an optimization of geometry. B) Plot 1D and 2D energy scan. C) Plot energy profile along a reaction coordinate. D) Plot relative energy with respect to a reference value. E) Select the unit of energy between Hartree, eV, cal/mol, kcal/mol, J/mol, kJ/mol values. F) Plot the change of a distance, angle, or dihedral angle along the x axis. ATTENTION: DrawProfile mainly open Gaussian (www.gaussian.com) log files and Gamess US (http://www.msg.ameslab.gov/gamess) log files. CONTACT AND HELP If you have any issue, please send an e-mail at [email protected]