Journal of Chemical Software
Online ISSN : 1883-8359
Print ISSN : 0918-0761
ISSN-L : 0918-0761
Development of A File Conversion Program for Chemical Structure Data : MOLCONV
Ken-ichi HAYAMI
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1996 Volume 3 Issue 1 Pages 11-24

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Abstract

A file conversion program for data formats of molecular structures in chemistry MOLCONV was renewed. The aim of MOLCONV is applied in dealing with various data formats with flexibility. A macro-language and its interpreter for file conversion procedures are employed for this purpose. The new MOLCONV was provided with only conversion function for an independent program, at first. The old was one of the applications, which consisted of structure input, display, etc., for chemistry. Secondly, in addition to the conventional way of step by step depending on menu selection, the way of a command line procedure was adopted in the new program. At last the interpreter was fortified. This paper presents the concept of MOLCONV and the modified MOLCONV.

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© Society of Computer Chemistry, Japan
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