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File structure

As this short example shows. PDB files use different syntax for different records and both writing and reading such files require much effort. Another problem is the extensibility of this format to handle new kinds of information, which further complicates the file structure. The Protein Data Bank has been faced with the consequences - the existing legacy data comply with several different PDB formats, so they are not uniform and they arc more difEcuh to handle (145, 155, 157]. As mentioned in Section 2,9.7.1, there is a much more flexible and general way of representing molecular structure codes and associated information - the STAR file format and the file formats based on it. [Pg.120]

MacroModel (we tested Version 6.5) is a powerful molecular mechanics program. The program can be run from either its graphic interface or an ASCII command file. The command file structure allows very complex simulations to be performed. The XCluster utility permits the analysis and filtering of a large number of structures, such as Monte Carlo or dynamics trajectories. The documentation is very thorough. [Pg.344]

Solutien The basic input file structure is as follows ... [Pg.53]

The first collection of the powder diffraction data appeared in 1938, known as ASTM cards. Later, the International Centre for Diffiaction Data (ICDD) issued the data in electronic form, which became known as the Powder Diffraction File (PDF). Majority of the users currently use the so called Pdf-2 version, updated in different years. It contains both measured and computed diffiaction data in a flat-file structure. Beside some additional... [Pg.214]

ID DISNMR data files are simply stored as , with nnn being the experiment number (001 - 999). 2D DISNMR data files are stored as .SER. No further file structure is recognized. [Pg.29]

It is possible, therefore, to gain significant insight into file structural characteristics of the activated complex from file structures of the reactants and products... [Pg.95]

DB File Structure Field X pH Value X LogD X Caution X... [Pg.67]

Nelson, T. H. (1965) Complex information processing A file structure for the complex, the changing and the indeterminate. In Proceedings of the 1965 20th National Conference, ed. L. Winner, pp. 84-100. Cleveland, OH ACM. [Pg.266]

This program exists to cope with any problems that occur with the database. Its use requires a good understanding of the file structure of the system. With imagination a skilled user can correct any mistakes and misalignments in his data. [Pg.358]

VT105 in that it is a richer command set and is a simple ASCII stream, it can be easily read with out resorting to decoding the bit patterns of characters. Graphics figures can be stored as simple sequential files, edited with a standard editor and transported between system (ours or other vendors) without worrying about the oddities of binary file structures and data being interpreted as control codes. ... [Pg.81]

Folder/directory structures File structures File sizes File properties File access Storage media Storage capacity Data retrieval rates User interfaces... [Pg.717]

Module relationships (events, timers, handshaking) Database schema File structures System interfaces... [Pg.719]

Data may be organized by type of data, such as adverse events, laboratory data, demography, physical exam, etc. Since many of these categories of data exist across clinical trials, standard file structures can be designed and implemented. This standardization allows for the reuse of validated software as well as facilitates the pooling of data across studies for use in project safety summaries and other data reporting across studies. [Pg.558]

In the digital age, ideas and information will be reprocessed and reused. Their portability and, consequently, their usefulness are dependent on the ability to find their particular data bit streams within a vast universe of binary number sequences. As the mass of documents in an enterprise EDMS grows and the filing structure that accommodates it both broadens and deepens, retrieving any specific item from the repository becomes more difficult. Speedy and accurate search and retrieval are achieved by allowing searches based on document content, attributes, or both. Users must also be able to save their queries for future reuse and store their queries in a centrally administered, single location. A simple FIND function must allow users to search either all versions of files or to restrict a search to only current versions of files. The system must validate and maintain a controlled list of category values and a controlled list of status values. [Pg.2555]

Brown, I. D. The standard crystallographic file structure. Acta Cryst. A39, 216-224 (1985). [Pg.725]

Brown, I. D. Standard crystallographic file structure — 84. Acta Cryst. A41, 399 (1983). [Pg.725]

To develop a data management plan pertinent to the project, a checklist of the project material is necessary to enhance the planning. The items to be collected include the protocol, annotated case report forms (CRFs), literature, log-in and tracking forms, file structures, coding rules, CRF review conventions, query handling procedure, required edit checklist, central laboratory address/file format, laboratory normal ranges, clinically... [Pg.345]

TEMP monthly.asc is the main data file, containing the time series 1900-2005 of monthly mean values over each 1 °x 1 °x 10 m BALTIC grid cell, together with minimum, maximum, root mean square and sample count. It is a large plain ASCII file structured as shown in Table 11.10 in Chapter 11. [Pg.656]

Software analysis architecture, file structure, programming languages. [Pg.56]

Implementations of getint are deferred until the file structure for storage of repulsion integrals has been finalised and the details of getint s partner putint have been decided. [Pg.83]


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See also in sourсe #XX -- [ Pg.314 ]

See also in sourсe #XX -- [ Pg.203 ]




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