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[News]

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

Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database
Sept 2010

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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