Molecular Structure Modeling through BCF

The BCF supports numerous computational applications designed for macromolecular structure analysis. Such programs are generally implemented by the directors of the relevant structural core facilities (Analytical Ultracentrifugation, NMR, Xray Crystallography), and support for such applications can generally be obtained from the core directors. Among software packages supported by BCF are:

• UltraScan – Analytical Ultracentrifugation
• SOMO – Bead Modeling, Small Angle Light Scattering
• GROMACS – Molecular Dynamics
• DAMMIN – Ab initio shape determination by simulated annealing using a single phase dummy atom model
• MONSA – Ab initio shape determination by simulated annealing using a multiphase dummy atom model
• GASBOR – Ab initio reconstruction of a protein structure by a chain-like ensemble of dummy residues
• AutoDock – Drug and small molecule docking

Please let us know if you would like to have additional software packages installed and supported by BCF. We can provide shell and VNC access to our resources offered on our parallel Linux clusters.