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Automatic model builders

Numerical methods. Computer-intensive numerical methods like quantum mechanics, molecular mechanics, or distance geometry [8] do not normally fall into the scope of automatic model builders. However, some model builders have built-in fast geometry optimization procedures or make use of distance geometry in order to generate fragment conformations. [Pg.164]

Sadowski,., Gasteiger,. From atoms and bonds to three-dimensional atomic coordinates automatic model builders. Chm. Rev. 1993, 7, 2567-2581. [Pg.181]

Sadowski, J. and Gasteiger, J. (1993) From atoms and bonds to 3-dimensional atomic coordinates — Automatic model builders. Chemical Reviews, 93, 2567—2581. [Pg.116]

Dimensional Atomic Coordinates Automatic Model Builders. [Pg.286]

Confonnational analysis methods. The approaches in this subdivision are half-way outside of the domain of automatic model builders and discussed in detail elsewhere (see Conformational Analysis 1 Conformational Analysis 2 and Conformational Analysis 3). However, most of the programs discussed below perform internally a conformational analysis of the whole molecule or parts of it and some programs are able to write multiple conformations of the molecule under consideration. [Pg.2979]


See other pages where Automatic model builders is mentioned: [Pg.137]    [Pg.188]    [Pg.556]    [Pg.556]    [Pg.269]    [Pg.506]    [Pg.506]    [Pg.507]    [Pg.27]   
See also in sourсe #XX -- [ Pg.556 ]

See also in sourсe #XX -- [ Pg.506 ]




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