Programs & Links

The O.R.G. has access to high performances machines and remote servers for large computational jobs, in addition to our local workstations.  Here are a few programs that individuals in our group use for various research projects.

 

Functional Site Predictors (ORG Servers)
THEoretical Microscopic Anomalous TItration Curves (THEMATICS).  Calculations are now integrated in the POOL calculations.

Partial Order Optimum Likelihood (POOL).  Please refresh your cache if the page does not load.

If you have any trouble with these please email us with your questions or errors.

Molecular Modeling & Molecular Dynamics

YASARA

Homology modeling

YASARA

Electrostatics

MCCE
UHBD

Molecular Visualization

YASARA
CHIMERA
PyMOL

Docking

Schrodinger’s GLIDE
AutoDock (in YASARA)

Servers

DALI
PDBeFold
PASS2
TCOFFEE-EXPRESSO