Software tool

NMR data on a PC under the MS-WINDOWS environment, e.g WINDOWS 95 or WINDOWS NT. The 2D WIN-NMR program is also linked to the ID WIN-NMR program for special 2D processing. The programs can process data generated on various Bruker NMR spectrometers (AC, AM, CPX, MSL, AMX, ARX, DPX, DRX, DMX,) as well as data produced by one of Bruker s MS-WINDOWS based simulation programs. Furthermore NMR data acquired with spectrometers of other manufacturers (Varian, GE, JEOL) may be converted and processed a.s well. 

The volumes in the series of Spectroscopic Techniques An Interactive Course are delivered with special versions of ID WIN-NMR and 2D WIN-NMR. They are a supplement for this course to be installed on a stand-alone PC and to be used exclusively for processing the experimental data supplied in the NMR data base. They cannot be used to process the users personal NMR data. The full version of ID WIN-NMR and 2D WIN-NMR software must be installed for this purpose and a special copy protection dongle (a WIBU key for the single user mode, or a Net-HASP key for the multi-user/network mode) must be used. Note also that for 2D WIN-NMR a standard 16-bit and a more powerful 32-bit version exist. Please refer to the description in the corresponding Bruker manuals [2.1, 2.2]. 

The GETFILE software is used in this volume to demonstrate its capabilities for converting various spectrometer specific data formats into the WINNMR format. It has been developed for data conversion and easy data transfer and must be installed if you wish to 

Process NMR data measured either on older Bruker spectrometers (AC, AM), connected to ASPECT computers using the ADAKOS/DISNMR software, or measured on spectrometers of other manufacturers. 

If your PC is connected to a local network and you want to have direct access to NMR data stored on remote computers. 

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Overall, use of learning systems has two main advantages. First, the construction cost may be lower, certainly if the system is not construeted from scratch but uses existing software tools and components. Second, a learning system is able to adapt to changing conditions, though not always on-line. 

For presenting the results of the 3D-CT measurements the software tool 3D-CTViewer [12] was designed and developed under the visualization developer language IDL [13]. In this package both typical methods for 3D-visualization, the surface and the volume rendering technique [14], are implemented. 

The CamuS system consists of a number of components, both hardware and software, as shown in Figure 1. The hub of the system is the data acquisition unit, which collects and stores ultrasonic data in the form of RF waveforms. An accurate probe position monitor provides information on the location and orientation of the probe as it is scanned over the test object. Software tools have been developed to provide assistance to the user with preparing inspection procedures according to the requirements of prEN1714 with visualising the data, in relation to the test object with making measurements of any indications present and with classifying indications. 

Critical to the successtlil completion of this process are the software tools required to store and analyse the inspection and related data. This is a major task and to achieve this OIS has produced, in conjunction with a major specialist technical software provider, the Asset Condition Evaluation Tool (Acet). Acet is a comprehensive suite of programs which draws on the extensive experience of engineers working in this field for many years, to provide a readily usable and highly auditable package for this application. 

Pearlman R S and K M Smith 1998. Novel Software Tools for Chemical Diversity. Perspectives in Dn Discovery and Design vols 9/10/ll(3D QSAR in Drug Design Ligand/Protein Interactions ar Molecular Similarity), pp. 339-353. 

Software tools for computational chemistry are often based on empirical information. To use these tools, you need to understand how the technique is implemented and the nature of the database used to parameterize the method. You use this knowledge to determine the most appropriate tools for specific investigations and to define the limits of confidence in results. 

Using the PC for control requires installation of a board into the expansion slot in the computer, or the PC can be connected to an external I/O module using a standard communication port on the PC (RS-232, RS-422, or IEEE-488). The controller card/module supports 16- or 32-bit microprocessors. Standardization and high volume in the PC market has produced a large selection of hardware and software tools for PC controllers. 

RS Pearlman. Novel software tools for addressing chemical diversity. Network Sci 1996. http //www.awod.com/netsci/Science/Combichem/feature08.html... 

Korde, U. 1997 Planning for Variation in Manufacturing Processes - a process tolerance analysis software tool. SAE Technical Paper No. 970683. 

Sandoz (Ankers, 1995) has developed a software tool to assist chemists and engineers in identifying hazards, and inherently safer process options. 

Appendix A provides a brief description of several existing hardware and software tools designed for CA research. Appendix B contains a useful list of CA and more general c omplcxity-related information sources availabk on the World Wide Web (WWW), subject-sorted into a total of 91 WWW Universal Resource Loc a-tor (URL) links in 16 categories. The book is indexed and includes an extensive bibliography. 

Swarm has been intentionally designed to include as few ad-hoc assumptions about the design of a complex system as possible, so as to provide a convenient, reliable and standardized set of software tools that can be tailored by researchers to specific systems. 

Rizzoli AE, Young WY (1997) Delivering environmental decision support systems software tools and techniques. Environ Modell Softw 12(2-3) 237-249... 

Soncini-Sessa R, Villa L, Weber E, Rizzoli AE (1999) TwoLe a software tool for planning and management of water reservoir networks. Hydrol Sci J 44(4) 619-631... 

Figure 1. General scneme for acquiring new hardware/software tools and methods for process automation and control.

Pearlman RS, Smith KM. Novel software tools for chemical diversity. Perspect Drug Discov Des 1998 9/10/ll 339-53. 

Several of the software tools used most frequently today include Beilstein Crossfire (information at www.mdli.com) and SciFinder from the Chemical Abstracts Service (www.cas.org/scifinder/) for structure-based reaction searches. Reagent availability information is often searched with MDL s ACD and CAS s SciFinder. Special compound collections and contract services offered by new companies such as ChemNavigator (www.chemnavigator.com)... 

As one of the indispensable software tools, the compound registration system provides a mechanism for the medicinal chemist to capture chemical structure information as well as analytical and other data in a database. We mention two of the systems below. 

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