在PyMOL中导入蛋白质结构,选择感兴趣的氨基酸或原子,在Caver 3.0.3面板点击“Convert to x,y,z”按钮可设置分析起点的坐标;在“Output directories”设置工作路径,分析产生的结果会保存在该路径中;如果有多个对象可以在“Input model”进行选择,其它参数一般设置默认即可;点击“Compute tunnels”进行分析。在PyMOL中每...
代码最后一行中convert_cif_to_pdb("cif文件所在文件夹位置", "输出文件所在文件夹位置")括号内分别修...
(1) Linux下使用convert命令生成 将所有png图片上传到服务器,在LINUX环境下,运用convert命令生成动画图片,gif格式。 convert *.png t_rotate.gif #convert功能十分强大,可另行学习各种图片编辑和转换操作 (2) Python脚本生成 参考文章 Python绘图|Python将多张静态图片合成gif动态图片 裁剪尺寸 PPT中裁剪gif动图成自己...
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上面我们说到pygame.image.load()返回的其实是一个surface对象,而pygame中专门有一个Surface类,并且这个类中还有许多的方法。 pygame.surface.blit — 画一个图像到另一个 pygame.surface.convert — 改变图片的像素格式 pygame.surface.convert_alpha — 改变图像的每个像素的像素格式包括阿尔法 ...
上面我们说到pygame.image.load()返回的其实是一个surface对象,而pygame中专门有一个Surface类,并且这个类中还有许多的方法。pygame.surface.blit — 画一个图像到另一个 pygame.surface.convert — 改变图片的像素格式 pygame.surface.convert_alpha — 改变图像的每个像素的像素格式包括阿尔法 pyg ...
[return to KB Wong's home page]Through this tutorial, you will be able to generate the following figures:You can download the files for the tutorials here Files included:1w2i.pdb - crystal structure of PH acylphosphatase (PDB: 1W2I) (2fofc.map.xplor - electron density map from CNS/...
In this notebook we useChemAxon's molconvertto convert SMILES to InChIKeys. You can download a platform independent version of ChemAxon's Marvinhere. Make sure to have molconvert installed and add the path to the environment: path = '/Applications/MarvinSuite/bin/' os.environ['PATH'] +...
- - -vsite enum none Convert atoms to virtual sites: none, hydrogens or aromatics - - -[no]heavyh bool no Make hydrogen atoms heavy - - -[no]deuterate bool no Change the mass of hydrogens to 2 amu - - -[no]chargegrp bool yes Use charge groups in the .rtp file ...
An external program must be used to convert these into a movie format. A script to create MPEG movies from PyMOL frames is distributed with the Unix version of this tutorial. CHAPTER 1. INTRODUCTION 6 1.3.1. Comparison with other molecular graphics programs Marc Saric has a useful table ...