Sculpt expands file-import capabilities

Interactive Simulations Inc. said it will delve deeper into the molecular level next week when it releases the latest version of Sculpt, its 3-D molecular modeling tool for researchers and scientists. The company is also introducing an entirely new program for molecular structure design.

Sculpt 2.5 includes wider support for importing files from other chemistry programs, including CambridgeSoft Corp.'s ChemOffice, MDL Information Systems Inc.'s ISIS/Draw and Bio-Rad Laboratories Inc.'s ChemWindows. Additionally, users can now import data directly from Chime, MDL's Web-based database for 3-D molecular shapes.

As in previous versions, the program provides interactive molecular visualization functions, including overlaying, twisting and turning structures; docking ligands; and showing H-bond electrostatics. The new version adds Universal Force Field modeling for better viewing of smaller molecules, the company said.

Sculpt 2.5 costs $1,195, or $600 for academic purchases. Upgrades for the latter group are $125; others can upgrade for $250.

Interactive Simulations is also introducing ChemBuilder 3D, a stand-alone molecular structure design program. The package lets chemists build basic structures (or import them from ISIS/Draw or other packages) and export them to Sculpt for more sophisticated modeling operations. The package, which costs $495, or $295 for academic purchases, calculates molecular formula and weight; builds structures using a fragment library; and supports wireframe, ball-and-stick, and space-filling models.

Interactive Simulations Inc. of San Diego, Calif., can be reached at (619) 658-9463 or (888) 272-8578; fax (619) 658-9463; sales@intsim.com; http://www.intsim.com.