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项目描述

XDrawChem is a program for drawing chemical
structures. Features include fixed length and
fixed angle drawing, a ring tool to automatically
draw rings, automatic alignment of structures in
reactions, 2D structure diagram generation, and 3D
structure conversion. It can access structures in
the PubChem compound database by name, CAS number,
or formula. It can output InChI for structures and
search the database by structure. It can predict
1H NMR, 13C NMR, simple IR spectra, and estimated
pKa. XDrawChem can work with its native file
format, ChemDraw files, and any format supported
by OpenBabel (MDL Molfile, CML, etc.).

系统要求

System requirement is not defined
Information regarding Project Releases and Project Resources. Note that the information here is a quote from Freecode.com page, and the downloads themselves may not be hosted on OSDN.

2005-03-31 14:11
1.9.4

三维结构的生成和数据库代码已更新，以提供更好的结果。一个插入符号对话框现已推出。其他一些小错误已得到修复。
标签: Stable, Minor bugfixes
Three-dimensional structure generation and
database code have been updated to give better
results. An Insert Symbol dialog is now available.
A few other small bugs have been fixed.

2005-03-07 15:59
1.9.3

BUILD3D现在是通过一条CGI脚本，所以它应该可以通过互联网连接到所有用户。色彩，有些问题已经得到解决。一个保存和撤消包含的“C”标志图纸问题已经得到解决。脂肪链是坚持正确绘制。一种新的波兰语翻译的贡献。
标签: Stable, Minor feature enhancements
BUILD3D is now accessed via a CGI script, so it
should be available to all users with an Internet
connection. Some issues with colors have been
resolved. An issue with save and undo of drawings
containing "C" labels has been resolved. Aliphatic
chains are consistently drawn correctly. A new
Polish language translation was contributed.

2005-02-11 04:34
1.9.2

在此版本中，在制定行为的错误和坐标转换的外部文件格式系统已经被修复。一些附加选项可用于编辑图纸。生成三维结构使用外部程序支持已被添加。
标签: Stable, Minor feature enhancements
In this release, bugs in drawing behavior and converting the
coordinate system in external file formats have been fixed.
Some additional options are available for editing drawings.
Support for generating 3-D structures using an external
program has been added.

2005-01-10 16:36
1.9.1

重大修补程序已作出箭头图，文本绘制，和自定义结构的菜单。更多设置是保存在会议之间，一个新的德文译本包括在内。
标签: Stable, Minor bugfixes
Significant fixes have been made to arrow drawing,
text drawing, and the custom structure menu. More
settings are saved between sessions, and a new
German translation is included.

2004-09-02 08:47
1.9

许多安全漏洞是固定的，其中包括具有国际性质的支持和文本和债券工具的问题。
标签: Stable, Major bugfixes
Numerous bugs were fixed, including problems with
international character support and the text and
bond tools.

Project Resources

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