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【一点经验】关于ChemDraw的几个使用技巧

发布: 2018-01-16 1,037阅读 184评论

Wikipedia
ChemDraw is a molecule editor
first developed in 1985
by David A. Evans
and
Stewart Rubenstein
later by
the cheminformatics company
CambridgeSoft.

说到绘制化学式和化学反应的工具软件，ChemDraw算是最常见的一个。因为用起来真得很方便，所以在科学工作者中传播率很广，很多学校和组织也会购买ChemDraw的使用权限。第一次使用ChemDraw的人会觉得好多按钮、好复杂、这么多选项到底用哪个，那么ChemDraw到底有多少个功能按钮/工具条，看看下面这张截图，除了模板和一些不重要的小工具条外，这些是所有我们可以用到的功能键。

在正常使用ChemDraw的时候，肯定没必要把这些工具条全部拖拽出来，然后再开始工作，一般保留ChemDraw默认的绘图、文件编辑、文字编辑功能就可以了，其他工具条可以在软件抬头的查看（View）按钮下查看到，随用随点。
几个技巧
除了寻找工具条外，还有些快捷小功能，能帮我们快速上手ChemDraw，提高工作效率，下面聊到的几点对CD老手来说绝对是司空见惯，习惯这些小功能，你也一样能成为ChemDraw的高端玩家。

1，多选取消
ChemDraw给使用者两种选择工具，一个是套索（Lasso），一个是矩形选取框（Marquee）。套索功能就是画个圈圈，把想选择的符号、键价等东西框在一起，这个很简单；另一种就是矩形选取框，画个长方形把东西框进去就行了。

使用这两种选取框就会有个问题会出现，多框了一些东西进来。这个时候按住Shift键+鼠标左键就可以取消任何你想取消选择的内容。

2，平行拖拽
在选取化学结构后，可以随意进行拖拽。如果需要进行平行或垂直复制拖拽的话，难道还Ctrl+C，Ctrl+V，再平行对齐吗？自然不是，Shift+Ctrl+鼠标左键，只要你移动就是对正位置的横向或竖向复制粘贴。

3，清理结构
Clean up structure 算是比较经典的功能，能把手绘的分子结构转换成标准的书面的分子结构，十分实用。快捷键就是Shift+Ctrl+K。

4，名字对结构的转换
写出化学分子的通用名，ChemDraw自动将其转换成标准分子式，快捷键为Shift+Ctrl+N。
举例如下图，输入diclofenac，就会跳出下面的分子式，免去自己绘制的麻烦。

如果你输入的名字没有对应的分子式怎么办，可以尝试高级一些地搜索功能：
Find Stucture from Name at ChemACX.com
一般来说，复杂的不常见的分子式都可以通过这个方法一步导入。

5，化学性质分析
Analysis window 和Chemical property window。可以在软件抬头的查看（View）菜单中找到。这两个窗口给出一些基本的化学属性，比如MW、pKa、MassSpec等等。举个栗子如下：

6，NMR预测
NMR图谱预测也是一个比较实用的功能，但是预测图谱和实际实验得到的图谱可能是有差别的，所以NMR预测只能作参考。对于不擅长分析化学的同学应该算是个利器，通过了解预测图谱，至少我们可以开始看懂NMR信号图啦！举个栗子：

7，热键设置
HotKeys就是热键功能，能帮助我们在绘制化学分子式的时候快速添加元素、基团或者化学键。在ChemDraw中国的网站上有一个原子热键和化学热键的表格。
[引用于：http://www.chemdraw.com.cn/zhishichubei/kuaijie-jian.html]
总结如下：

除了这些系统内默认的热键外，我们还可以设置自己习惯的热键，这就牵扯到修改ChemDraw的系统文件，在科学网中有一篇关于自定义ChemDraw热键的详细博客，贴在这里有兴趣可以去参考参考[http://blog.sciencenet.cn/blog-1213210-1040207.html]

ChemDraw看起来复杂，用起来简单，熟能生巧，愿大家早日成为CD高玩，科研顺利！

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