RICON-The Computer Program for the Quantitative Investigations of Cyclic Organic Molecule Conformations
نویسندگان
چکیده
The methods of quantitative conformational analysis of cyclic fragments in molecules and the computer program RICON (RIng CONformations) developed by us for this purpose are considered. Program RICON uses atomic coordinates obtained from X-ray studies or force field/quantum chemical computations and allows one to analyze geometric parameters of a molecule, to compute the puckering parameters of rings in the molecule using various methods, and to obtain a verbal description of a ring conformation. The abilities of the program are described, and the examples of its application are given.
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عنوان ژورنال:
- Journal of Chemical Information and Computer Sciences
دوره 37 شماره
صفحات -
تاریخ انتشار 1997