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QCMP095. CLB: Command Line Builder

by Douglas J. DeFrees, IBM Corporation, Almaden Research Center, San Jose, California 95120

This program simplifies the building of command lines for molecular modeling programs. When using CLB it is no longer necessary to concern oneself with the exact command syntax or the exact command to use to prepare input. From a menu of explanations (for example, "compute the geometry") one can chose the desired functionality. CLB contains within it descriptions of the requirements of certain input files such as Gaussian 88 or MOPAC 5.0 and from these descriptions can generate the correct input. These input descriptions can also be expanded to other systems.

Your system should have graphics capabilities as well as the ability to handle a mouse.

Lines of Code: 2277 Microsoft C and Macroassembler



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