학술논문
The standard molecular data format (SMD format) as an integration tool in computer chemistry.
Document Type
Article
Author
Source
Journal of Chemical Information & Computer Sciences. Feb1989, Vol. 29 Issue 1, p1-5. 5p.
Subject
*Data structures
Language
ISSN
0095-2338
Abstract
This paper describes the standard molecular data format, providing a powerful tool for data exchange between chemically oriented programs. The SMD format is seen to include the concept of superatoms, which offers a new strategy for economic and flexible storage of large molecules. After the general strategy and fundamental properties of the SMD format are outlined, specific examples are given. A few statements on the SMD library are also included. [ABSTRACT FROM AUTHOR]