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项目描述

JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, and conversion of different chemical file formats. It is written in 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.

系统要求

System requirement is not defined
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2005-02-12 18:32 Back to release list
2005-02-12

此版本为巩固质子模式,造成了妙语匹配和自卫队的出口问题来电管。这些问题是由于匹配过程中,删去或自卫队出口妙语氢原子。
标签: JOELib2, Minor bugfixes
This release consolidates the caller pipe for the
protonation model, which caused problems for the
SMARTS matching and the SDF export. The problems
were caused by deleting hydrogen atoms during
SMARTS matching or SDF export.

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