Resources
Video Tutorials Developed By Us:
Setting up a hanging drop protein crystallization video tutorial (link)
Analyzing protein crystals using a microscope video tutorial (link)
Centering and modifying a molecule in Avogadro for computational input (link)
Mercury visualization tutorial (link)
The following are programs we use in our group (click for links):
Computational Software
DFT & CASSCF calculations: ORCA
Visualizing Orbitals: Chimera
Building and centering structures: Avogadro
Visualizing calculated frequencies: Chemcraft
Visualizing calculations: MOAnalyzer
Multiplet theory: CTM4XAS
Data Analysis Software
XAS data processing and fitting: EXAFSPAK
XAS data processing: Athena
Needed to run EXAFSPAK: Xming
Crystallography: Wingx
Crystallography: SHELX
Additional Links
CPP sign up for SciFinder
Computational Cluster: NSF XSEDE
Stanford Synchrotron Radiation Lightsource: SSRL
Symmetry/Group Theory Practice: Symmetry@Otterbein
Orbital Visualization: The Orbitron