问题描述
我写一个程序，将可视化的分子动力学实验。输入将与各原子在每个时间步长的位置的文件。将有10万〜原子和〜500时步。原子是psented球体再$ P $。原子之间的连接将通过气缸psented再$ P $。
I am writing a program that will visualize a molecular dynamics experiment. The input will be a file with the location of each atom at each timestep. There will be ~100k atoms and ~500 timesteps. Atoms will be represented as spheres. Connections between atoms will be represented by cylinders.
下面是一些要求的程序（按重要性排序）：
Here are some requirements for the program (in order of importance):
- 要移动，旋转和缩放改变图像的能力
- 的能力，使从位置一部电影在不同的时间步长
- 选择能力的原子用鼠标
- 要创建一个图形用户界面的能力
- 在轻松在Mac，Windows和Linux的安装。
谁能推荐一个语言，可视化库或方法来处理这个？任何其他的想法也将是极大的AP preciated。
Can anyone recommend a language, visualization library or method to approach this? Any other thoughts would also be greatly appreciated.
推荐答案
我会建议考虑的Paraview ;你需要做的是保存在 VTK 格式的所有相关数据（库中有该功能），你'大功告成。它具有优异的后处理功能（如着色剂，透明粒子，动画），并经过充分测试
I would suggest to consider ParaView; what you need to do is to save all relevant data in VTK format (the library has functions for that) and you're done. It has excellent post-processing capabilities (such as coloring, transparent particles, animations) and is well-tested.
如果这似乎并没有足够的灵活性，你，我有 C ++ lib中的（没有得到由 .COM ，它是免费的，跨平台的混淆）。你需要写的OpenGL code的颗粒自己，这是pretty的方便。
If this does not seem enough flexible to you, I have some experience with c++ lib QGLViewer (don't get confused by the .com, it is free and cross-platform). You need to write OpenGL code for the particles by yourself, which is pretty easy.
不过，我知道有几个场景图引擎，它可以帮助你大大也许，但我认为其他的会更好地作出评论，因为我从来没有使用过。
That said, I know there are several "scene graph engines", which can help you greatly perhaps, but I think other would better comment on that, as I never used them.
仅供参考这部电影用的Paraview做的（你会发现更多的例子，可以肯定的），同时的东西在这里是OpenGL的与QGLViewer。
FYI this movie was done with Paraview (you find many more examples, for sure), while stuff here is from OpenGL with QGLViewer.
这篇关于三维可视化软件，用于科研的分子动力学模型的文章就介绍到这了，希望我们推荐的答案对大家有所帮助，也希望大家多多支持！