Dialog system

The ROSDAL (Representation of Organic Structures Description Arranged Linearly) syntax was developed by S. Welford, J. Barnard, and M.F. Lynch in 1985 for the Beilstein Institute. This line notation was intended to transmit structural information between the user and the Beilstein DIALOG system (Beilstein-Ohlme) during database retrieval queries and structure displays. This exchange of structure information by the ROSDAL ASCII character string is very fast. 

ROSDAL is used in the Beilstein-DIALOG system [17] as a data exchange format. The code can represent not only full structures and substructures but also some generic structures. 

ORBIT System Development Corporation, Santa Monica, California CAS82, CAS77, CAS72, CAS67 ENVIROLINE NTIS See entry entitled CA SEARCH under BRS system See entry under DIALOG system See entry under BRS system... 

To cite a specific example, a computerized search of the current Hellbron compilation, published by Chapman and Hall, was made using the Lockheed Dialog system. That file currently Includes 150,000... 

Vol. 46 Recent Advances in Speech Understanding and Dialog Systems. Edited by H. Niemann, M. Lang and G. Sagerer. X, 521 pages. 1988. 

Be careful when you use the Orbital Criterion for symmetrical system s. To get correct resnlis, you in u st include all or none of any set of degenerate orbitals in the Cl, n ot jn si some of them. Carrying out an RIIF calculation first and studying the Orbitals dialog box will help you to spot degenerate orbitals and avoid this pitfall. 

Run a molecular dynamics simulation, Start another simulation with the same molecular system and with Restart off in the Molecular Dynamics dialog box. HyperCheni assigns a new set of velocities at random. ... 

You ch oosc Ih c viilucs Lo avcriigc iii Ih e Molten kir Dynamics Averages dialog hox. As you run a molecular dynamics simulaLion, IlyperChem stores data m a CSV lile. This file has the same name as the IIIN file containing the molecular system, plus the extension. fov. If the molecular system is not yet stored in a IIIX file, IlyperChem uses the filename chem.csv. 

This dialog box also contains the option for specifying that the molecular system ism the first excited singlet stale (Next lowest or the Lowest electronic state. 

IlyperChem avoids th e discon tin nily an d, in isotropy problem of th e implied cutoff by iin posing a sin oothed spherical cn toff within the implied cutoff. When a system is placed in a periodic box, a switched cnLoITis aiitoinatically added. The default outer radius, where the interaction is completely turned off, is the smallest of 1/2 R., 1/2 R.. and 1/2 R, so that the cutoff avoids discontinuities and is isotropic, fh is cutoff may be turned off or modified in the. Molecular Mechanics Options dialog box after solvation and before calcii lation. ... 

These molecular dynamics restraints are stored with the IIIX file and are relained as long as ihe Named Seleclions are slill active (structural changes not made to molecular systemli or the restraints are still rec iiested via the Restraint Forces dialog box. 

HyperChem offers an easy way to interactively add certain basis functions to a molecular system. The Extra Basis Function dialog box can be used to add an S, P, D, SP, or SPD shell to the selected atom(s). These extra basis functions are primitives with no contractions. Thus, the extra basis functions are uniquely defined by the shell type and the value of the exponent. 

The results of electrostatic potential calculations can be used to predict initial attack positions of protons (or other ions) during a reaction. You can use the Contour Plot dialog box to request a plot of the contour map of the electrostatic potential of a molecular system after you done a semi-empirical or ab initio calculation. By definition, the electrostatic potential is calculated using the following expression ... 

To create a set of snapshots of any molecular dynamics run, press the Snapshot button of the Molecular Dynamics Options dialog box to bring up the Molecular Dynamics Snapshots dialog box for naming a snapshot file. A snapshot file contains snapshots of the coordinates and velocities of a molecular system along the trajectory. The dialog box allows you to name the file and decide at what frequency to take snapshots. For example, choosing the snapshot period to be two data steps implies that only every other time step is stored in the snapshot file. 

The U.S. government, a primary sponsor of scientific and technological developments that fostered the computer and communications technologies needed by the on-line database industry, also sponsored database development projects, information usage studies, and combined computer database development—usage projects. The successors of some of these projects continue to be prominent and include DIALOG, MEDLINE, BRS, LEXIS, and the Chemical Abstracts Registry System. 

Stmcture searching and display software are host-specific. The Softon Substmcture Search System (S4) was developed by the Beilstein Institute and Softon of Graefelfing Germany (50). It is a full stmcture and substmcture searching module. The S4 is used in-house by the Beilstein Institute and is operated by DIALOG. STN uses CAS ONLINE s messenger software for on-line stmcture searching of the Beilstein on-line database (51). 

CA Search Data-Star, DIALOG, ORBIT, Questel, etc Chemical Abstracts Service international, chemistry limited bibhographic data deep indexing of chemical concepts compound registry searchable by stmcture on Questel and by name and molecular features on other systems... 

Full-Text Patent Databases. The LEXPAT database on the LEXIS— NEXIS system, the first commercially available full-text patent file, receives its greatest use from patent attorneys and has been relatively unused by other patent information speciaUsts. This may be attributed to search software that is quite different from the type familiar to information speciaUsts, no matter what their preferred host system. This situation has changed with dialog s release of the PATEULL files followed by STN s USPATEULL, both searchable by familiar Boolean techniques and featuring greater... 

A family data set is a grouping of models and data for a problem (plant or system). To select a family, from the File menu choose Select Database. The Select Family dialog appears with the name of the currently selected family in the title bar. Choose the desired family from the list by double-clicking" the name. A pop-up menu appears from which the following options may be... 

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