CDKTools : The CDK - Octet Bridge
نویسنده
چکیده
Although the Chemistry Development Kit (CDK) [1, 2] and Octet [3, 4] are similar in several respects, they also differ in important ways. Because of these differences, software based on one platform is incompatible with software based on the other. CDKTools is designed to solve this problem by enabling both Octet and CDK to be used interchangeably [5]. This article describes the most important aspects of CDKTools with illustrative code examples.
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تاریخ انتشار 2005