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[News]

IBM's Systems & Technology Group releases a white paper with 
eHiTS & Cell
Oct 2008

Virtual Screening by Flexible Docking on a PlayStation 3
Apr, 2008

EPA's ToxCastTM project will use SimBioSys' eHiTS as docking engine
Nov, 2007

[Events]

240th ACS
Aug 22-26, 2010
Boston, MA, USA
booth #945
see >> more

Index

CheVi®: Chemical Visualizer

A new 3D visualization tool FREE for all users featuring:

  • High quality, interactive 3D visualization package with hardware acceleration
  • Molecule visualization techniques: wire-frame, stick & ball
  • Surface visualization: front and back culling, real-time contours
  • Volume visualization techniques: 
    1. Multiple translucent isosurfaces;   
    • 2. Color mapped molecular surfaces;
  • Web based user interface with 3D visualization capabilities, interfaced with eHiTS®, to provide complete docking and screening web-service.
  • Simple application interface to eHiTS®, providing an easy-to-use 3D graphics interface for visualization of docking and screening results.
      • 1. superimposing docking results
      • 2. different color schemes for different ligand sets (e.g. original versus docked)
      • 3. labeling atoms, residues
      • 4. color coded protein-ligand interaction surfaces
  • Receptor-ligand interaction visualization aids:
    • 1. showing the interaction lines
    • 2. coloring by interaction score
    • 3. difference volume, i.e showing the gap between the surface of the receptor and ligand
  • Export capability for high resolution, publication-quality images
  • Available on Linux only (soon to be available on most platforms)


Users say:







"We found that CheVi is extremely useful for understanding the intermolecular interactions between the protein and the ligand."

Dr. Gerard Pujadas, Department of Biochemistry and Biotechnology, University Rovira & Virgili, Tarragona, Catalonia, Spain, EU, wrote on Oct 25, 2006

Download CheVi brochure




3D visualization of a FXa ligand: "125" (pdb code: 1LPK) docked into the receptor and superimposed onto the original X-ray  co-crystallised structure. The difference is 0.44 A RMSD.
A trypsin inhbitor complex (code: 1eb2.pdb) docked with eHiTS, within 1A RMSD of the X-ray structure
Trypsin pocket with the intercation surface of the inhibitor ligand (code: 1eb2.pdb)

There are more example images and snapshots in the Gallery.



[CheVi Links]

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