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Cambridge Structural Database System
By Cambridge Crystallographic Data Center
For Students, Faculty, Staff

The Cambridge Structural Database - The world repository of small molecule crystal structures, and is the principal product of the CCDC. It is the central focus of the CSD System, which also comprises software for database access, structure visualisation and data analysis, and structural knowledge bases derived from the CSD.

CrystalMaker Windows, Mac
CrystalMaker
By CrystalMaker Software
For Students, Faculty, Staff

CrystalMaker is an advanced chemical & materials modelling program, featuring energy minimization, crystal-engineering - combined with full crystallographic model building and visualization.

CrystalMaker provides a streamlined workflow that majors on productivity: just drag-and-drop your data files into the program for instant display in spectacular photo-realistic color. Manipulate structures in real time, with the mouse. Multiple View "bookmarks" and undo levels encourage exploration and discovery - ideal for teaching and research.

CrystalMaker Diffract
By CrystalMaker Software
For Students, Faculty, Staff

CrystalDiffract 6 is an all-new, stand-alone program, designed to make the world of X-ray and neutron powder diffraction intuitive, interactive - and fun!

CrystalDiffract 6 reads from crystal files - including CIF files - to simulate X-ray or neutron powder diffraction patterns. Real-time parameter controls let you experiment with diffraction and sample settings, with instant feedback. Combine these with instant mixture creation - and the ability to load observed data in the same window - and you have a powerful workbench application for researchers, teachers and students.

CrystalMaker SingleCrystal
By CrystalMaker Software
For Students, Faculty, Staff

SingleCrystal is an elegant program designed to make the world of diffraction, reciprocal lattices and stereographic projections intuitive, interactive and fun!

SingleCrystal can simulate X-ray, neutron and electron diffraction patterns from single crystals, as well as being able to display reciprocal lattice sections and stereographic projections.

Gaussian Windows
By Gaussian, Inc.
For Students, Faculty, Staff

Gaussian is a software package used for calculating molecular electronic structure and properties. Gaussian is used by chemists, chemical engineers, biochemists and physicists for research in established and emerging areas of chemical interest. This package includes a wide range of ab initio and semi-empirical methods for energy, gradient, frequency and property calculations.

Licensing: Gaussian is available under a site license for LSU.

GaussView Windows
By Gaussian, Inc.
For Students, Faculty, Staff

GaussView 06 is the latest in the Gaussian series of electronic structure programs. GaussView 06 is used by chemists, chemical engineers, biochemists, physicists and others for research in established and emerging areas of chemical interest.

GaussView 06 makes using Gaussian simple and straightforward by sketching in molecules using its advanced 3D Structure Builder, or loading in molecules from standard files. Also, it sets up and submits Gaussian jobs right from the interface, and monitors their progress as they run. It examines calculation results graphically via state-of-the-art visualization features: displays molecular orbitals and other surfaces, view spectra, animates normal modes, geometry optimizations and reaction paths.

Licensing: Gaussian is available under a site license for LSU.

LabView Windows, Mac, Linux
LabView
By National Instruments
For Faculty, Staff

Download LabVIEW, the only system design software that provides engineers and scientists with the tools they need to create any measurement and control application. NI LabVIEW system design software is at the center of the National Instruments platform. Providing comprehensive tools that you need to build any measurement or control application in dramatically less time, LabVIEW is the ideal development environment for innovation, discovery, and accelerated results. Combine the power of LabVIEW software with modular, reconfigurable hardware to overcome the ever-increasing complexity involved in delivering measurement and control systems on time and under budget.

For additional information, please refer to: LabView: LSU Overview

OPUS Windows
OPUS
By Bruker
For Students, Faculty, Staff

OPUS is a software that can be used to analyze and view infrared spectra collected on the LSU Chemistry Department’s Bruker Tensor 27 or Alpha FT-IR instruments.