Screen Shots

  Polypeptide builder.  You can build polypeptides of any phi-psi angle combinations.

Ribbon rendering of the photosynthetic reaction center from Rps. viridis (6PRC from the PDB database)  The Fe-hemes of the cytochrome (top) and the bacteriochlorophyll-b and bacteriopheophytin-b pigments of the reaction center are also shown.

Calixarene with NH3 and H2O cluster. Image exported to the PovRay file format and rendered with PovRay (www.povray.org)

 Ribbon rendering of RNA-binding attenuation protein (1WAP from the PDB database)

Docking of the Novartis' anti-cancer drug Gleevec in the C-ABL Kinase domain of 1IEP (from the PDB database).  ArgusDock with the AScore scoring function docks the fully flexible ligand in a couple of seconds and has an RMSD of 1.1 angstrom with the x-ray structure ligand.

A ZINDO ground-state calculation of a polyene with a static electric field along its long-axis (the positive plate is on the right).  The dot surface shows the difference of the electrostatic potential of the ground state in the presence of the E-field minus the electrostatic potential of the ground state in the absence of any field mapped onto the iso-surface of the ground state electron density.  These types of plots (ESP differences mapped onto electron densities) are good for showing where electron density changes occur.  The red region to the right-end of the molecule shows where the electrons density has increased in the presence of the E-field relative to the ground-state.  There is a net increase in negative electrostatic potential at this end of the molecule.