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ALTER: eclectic management of molecular structure data.

作者信息

Flower D R

机构信息

Department of Physical and Metabolic Sciences, Astra Charnwood, Leicestershire, UK.

出版信息

J Mol Graph Model. 1997 Jun;15(3):161-9, 181-4. doi: 10.1016/s1093-3263(97)00101-0.

Abstract

ALTER is a computer program written to facilitate easy conversion between different representations of molecular structure data. The program functions as a file converter, data generation engine, and through the creation of control or input files, as an interface to other programs. The main aspects of program function--the reading and writing of files; coordinate transformation; data reorganization: structure building; data abstraction, including the generation of a wide variety of topological indices and constitutional descriptors; and display--are described in appropriate detail.

摘要

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