VMS Draw provides general utilities (e.g. normalization, conversion, and other manipulations of several spectra at the same time) and a flexible graphical user interface (GUI) for an easy use by non-specialists which allows a seamless flow of information between experimentally and theoretically oriented researchers.

Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set of methods for computational spectroscopy.

Features

  • Preprocessing Tools
  • Manages a HPC job life cycle
  • Fully Customizable Chart
  • Vibrational Analysis
  • Vibronic Analysis
  • UV/VIS Vibronic Analysis
  • PCM Solvation Cavity
  • Plot Digitization and Comparison
  • Summing up Spectra and Simulate Mixtures
  • Rotational Fit&Prediction
  • Nuclear Magnetic Resonance Prediction

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Additional Project Details

Operating Systems

Linux, Mac, Windows

Intended Audience

Science/Research

User Interface

Java Swing

Programming Language

Java

Related Categories

Java Chemistry Software, Java Bio-Informatics Software, Java Data Visualization Software

Registered

2014-06-25