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Babel

The different internal and external file formats make it necessary to have programs which convert one format into another. One of the first conversion programs for chemical structure information was Babel (around 1992). It supports almost 50 data formats for input and output of chemical structure information [61]. CLIFF is another file format converter based on the CACTVS technology and which supports nearly the same number of file formats [29]. In contrast to Babel, the program is more comprehensive it is able to convert chemical reaction information, and can calculate missing atom coordinates [29]. [Pg.46]

In most programs, it is still possible to input a geometry manually in an ASCII input file. If the geometry is already in a file but of the wrong format, there are several utilities for converting molecular structure files. The most popular of these is the Babel program, which is described in Appendix A. [Pg.67]

Babel (we tested Version 1.6) is a utility for converting computational chemistry input hies from one format to another. It is able to interconvert about 50 different hie formats, including conversions between SMILES, Cartesian coordinate, and Z-matrix input. The algorithm that generates a Z-matrix from Cartesian coordinates is fairly simplistic, so the Z-matrix will correctly represent the geometry, but will not include symmetry, dummy atoms, and the like. Babel can be run with command line options or in a menu-driven mode. There have been some third-party graphic interfaces created for Babel. [Pg.352]

Contact information http //www.ccl.net/pub/chemistry/software/UNIX/babel/... [Pg.353]

Structural chemistry of octahedral fluorocomplexes of the transition elements. D. Babel, Struct. Bonding (Berlin), 1967, 3,1-87 (348). [Pg.36]

Babel D (1967) Structural Chemistry of Octahedral Fluorocomplexes of the Transition Elements. 3 1-87... [Pg.241]

Elharfaoui N., Djabourov M., Babel W.. Molecular weight influence on gelatin gels structure, enthalpy and rheology. Macromolecular Symposia 256 (2007) 149-157. [Pg.112]

Schleinitz KM, S Kleinsteuber, T Vallaeys, W Babel (2004) Localization and characterization of two novel genes encoding stereospecific dioxygenases catalyzing 2(2,4-dichlorophenoxy)propionate cleavage in Delftia acidovorans MCI. Appl Environ Microbiol 70 5357-5365. [Pg.584]

D. Babel, A. Tressaud, Crystal chemistry of fluorides. In Inorganic Solid Fluorides (P. Hagenmuller, ed.). Academic Press, 1985. [Pg.254]

Riis, V., Babel, W., and Pucci, O., Influence of heavy metals on the microbial degradation of diesel fuel, Chemosphere, 49 (6), 559-568, 2002. [Pg.426]

Babel W, Ackermann JU, Breuer U (2000) Adv Biochem Eng Biotechnol (this volume)... [Pg.119]

Follner CG, Muller S, Steinbuchel A, Babel W (1995) J Basic Microbiol 35 179... [Pg.122]

Steinbuchel A, Aerts K, Babel W, Follner C, Liebergesell M, Madkour MH, Mayer F, Pieper-Furst U, Pries A, Valentin HE.Wieczorek R (1995) Can J Microbiol 4l(Suppl 1) 94... [Pg.122]

Mothes G, Skinfill Rivera I, Babel W (1997) Arch Microbiol 166 405... [Pg.154]

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