Wit!P Hompage


Installation Instructions
Description of New Features
Users Guide
Tutorial



Wit!P ("wit-not-pee") is a simple molecular modeling/graphics tool developed at Novartis Pharma AG.  Originally written for Silicon Graphics workstations, the program is now also available on low cost systems, such as PC's and Laptops running Linux, Mac OS X, or Windows.
 
 

Program Features include:


  • Molecular graphics: rendering of 3D molecular structures (simple line drawing, CPK, Stick and Ball), Surfaces (solvent accessible, as dots, as solid surface).

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  • Analysis: measure distances, angles, dihedrals, short contacts, superposition, ...

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  • Manipulation: building of molecules from fragments or 3D sketch, manual and (semi)-automatic superposition of molecules.

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  • Energy minimization with Minimax (using the Tripos, CHARMm, or Amber force field) or PIFF (pi-SCF - Force Field).

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  • Support for a number of molecular file formats (PDB, MDL SD, Tripos MOL and MOL2, Macromodel, MSI car/mdf, X-Plor PDB, Cambridge DB .dat).

  • What is the name of this program?

    For want of a better name, this program is called WITNOTP (an acronym for "What is the name of this Program?"). This unwieldy acronym may be abbreviated to Wit!P, using the !-operator (logical 'not') from the C programming language, in which most of Wit!P is written.



    A.Widmer, NIBR/CPC/CSG-SB