Radial Distribution Functions (water analysis) and XTC files

[Former user]

Hello,

First, I'm curious if xtc files (or trr) trajectories are currently supported by Bio3D - I don't see them in the documentation so probably not. Is this a planned addition, out of curiosity?

Also, I have an interest in analyzing movement of water through buried regions (in cavities and channels) from MD trajectories. Is there any implementation of radial distribution functions in Bio3D that's a little more hidden? I know this is a long-shot but I thought I would ask!

Cheers.

[Xinqiu Yao]

Thanks for inquiring. These could be included in future releases but unfortunately neither xtc/trr format nor radial distribution is currently supported by Bio3D .