Interactive Simulations, Inc. released its first product, called SCULPT, to the World Wide Web. SCULPT is the first three-dimensional molecular modeling system that allows interactive manipulation of molecular structures while computing molecular mechanics in real time.
A usert can now use a mouse to grab onto atoms, secondary structure, and ligands and literally move them around until it looks and feels right. No prior system allowed any physically realistic interactions. SCULPT is the culmination of over ten man years of effort by Dr. Mark Surles with the collaboration of David and Jane Richardson of Duke University and Fred Brooks of UNC-Chapel Hill.
SCULPT is great for moving loops, secondary structure, and docking. SCULPT works with and increases the functionality of other academic and commercial modeling systems.
Price: $700 (academic) and $2500 (commercial).
SCULPT provides the only method for users to alter molecular conformation easily and interactively. Improvements included in version 1.5 are:
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SCULPT 2.5. The new features include a 2D-3D converter and greater file compatibility. With these additions, SCULPT models small molecules and interfaces with various drawing programs.
The new features include:
SCULPT still offers interactive capabilities of overlaying multiple molecules to determine similarities, twisting and turning molecular structures for conformational analysis, docking of ligands, minimizing in real-time, and visualizing H-bond, electrostatic, and van der Waals forces. SCULPT also allows copying and pasting into MS Word, and PowerPoint for documentation and presentation as well as the recording of QuickTime movies.
Daniel P. Haun
Interactive Simulations Inc.
http://www.intsim.com/