database update - C&EN Global Enterprise (ACS Publications)

software/database update ... to manage the automated acquisition, analysis, and display of data from instruments and sensors in the lab or on the fact...
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MARCH 16, 1998 C&EN

software/database update ^ LabVIEW 5.0 (National Instru­ ments, prices start at $995, circle 301) simplifies the programming of com­ puters to manage the automated ac­ quisition, analysis, and display of data from instruments and sensors in the lab or on the factory floor. The pro­ gram, which runs on a wide variety of platforms, displays icons that can be linked on-screen to represent the method and conditions for data gath­ ering and follow-up actions, obviating the need to write lines of computer code. As an example, the system can be programmed to turn a heater on whenever a sensor detects that the temperature has dropped below a de­ sired level. ^ Insight Π 970 (Molecular Simula­ tions, pricing available from compa­ ny, circle 302), a graphical interface for molecular modeling software, now includes MBO(N)D, which speeds simulation of molecular move­ ments and properties by dividing mol­ ecules into interconnected regions. This feature also simplifies analysis of substructure/function relation­ ships in applications such as protein folding or protein-ligand interactions in pharmaceutical and biotechnolo­ gy research. Tools for protein engi­ neering, macromolecular structure determination, and drug design are also enhanced. ^ Protean Financials (Marcam So­ lutions, prices start at $30,000, circle 303) measures financial performance at midsized food and chemical firms. The software handles general ledger, budgeting, financial reporting, ac­ counts payable and receivable, for­ eign currencies, as well as other tasks and data. ^ Evolver 4.0 (Palisade, prices start at $395, circle 304) uses "genetic al­ gorithms" to find the best solution for complex problems such as schedul­ ing, resource allocation, or product mix. The user identifies an objective, constraints, and controllable vari­ ables, and the program finds the best way to do the task. Evolver works with Microsoft Excel and runs on all Windows platforms. ^ DataStore 2.0 (Primavera Systems, $5,000, circle 305) creates a central repository of project data in an Oracle database; information on multiple proj­

ects can then be accessed, analyzed, and updated companywide. The up­ dates can be incorporated in the individual projects to ascertain the impact on deadlines and other com­ mitments. The project management software works with both Windows 95 and NT. ^ Meta (Multicase, pricing available from company, circle 306) is a VAX/ VMS-based program that evaluates possible mammalian metabolism of organic molecules, whether the me­ tabolites are known or not. The ex­ pert system assesses potential positive and negative bioactivity of the parent compound and its metabolites. ^ Drewtrax 6.0 (Ashland Chemical, $500, circle 307), which is compati­ ble with Windows 31 or higher, is data-management software for watertreatment programs. The product in­ cludes inventory tracking, comment fields, stacked-run charts, and process capability calculation features. ^ U-Convert-It (Venmark Interna­ tional, $44.95, circle 308) English/ metric conversion software runs on Windows 95. The program can paste results from conversions directly into documents, drawings, and spreadsheets. ^ NIST 98 (National Institute of Standards & Technology; $2,090, or $750 as an upgrade; circle 309) up­ dates the NIST/EPA/NIH Mass Spec­ tral Database. This tool for identify­ ing unknown chemicals includes nearly 130,000 spectra and more than 107,000 compounds. The prod­ uct includes a module to extract pure compound spectra from com­ plex chromatograms. NIST 98 is com­ patible with Windows 3.1, 3.11, 95, or NT. ^ Periodic Table live! (Journal of Chemical Education, prices start at $100, circle 310) gives a tour of the periodic table via digital video, color graphics, and databases. The product is geared toward students in introduc­ tory, inorganic, and solid-state chemis­ try courses. The CD-ROM is compati­ ble with Windows and Macintosh platforms. For information on these items, see Reader Service Card