Software


Software Available at the CCB

NameUsage
Schrodinger SuiteProtein-small molecule docking and cheminfortmatics
Alphafold2Modeling of protein monomers and multimers
OpenEye SuiteProtein-small molecule docking
ChemAxon SuiteCheminformatics
Rosetta SuiteMolecular modeling and protein design
AutodockProtein-small molecule docking
Dock6Protein-small molecule docking
GRAMMProtein-protein docking
ChemOfficeChemical productivity suite
OpenBabelChemical toolbox
CHARMMMolecular dynamics
NAMDMolecular dynamics
GROMACSMolecular dynamics
LAMMPSMolecular dynamics
NWChemQuantum mechanics/molecular mechanics
GAMESSMolecular quantum chemistry
RStatistical computing and graphics
XMGraceGraphic software
GNUPLOTGraphic software
PyMolMolecular visualization system
VMDMolecular visualization system
RasMolMolecular visualization system
BLASTSequence analysis
Clustal OmegaMultiple sequence alignment
EMBOSSBioinformatics analysis