We have hosted the application trj cavity in order to run this application in our online workstations with Wine or directly.
Quick description about trj cavity:
trj_cavity finds protein cavities throughout Molecular Dynamics (MD) simulation trajectories. The program works with files in PDB format, but it also can read/generate GROMACS compatible formats such as XTC.The same project can be compiled as a GROMACS tool or as a standalone version. Installation instructions are provided in the INSTALL file of the project and in https: //sourceforge.net/p/trjcavity/wiki/Home/#ffad
If you need support using this tool (or report bugs), please post it in the discussion forum.
Remarks: v2 runs in parallel and supports GROMACS v5.1+ series. If you want to continue on using GROMACS v4.x, please use trj_cavity_v1.1.
Features:
- Finds protein cavities in MD simulation trajectories.
- Produces MD trajectories of protein cavities vs time.
- Provides statistics of protein cavity distribution.
- Calculates cavity volume descriptor.
- Normal axis pore tunnel radius profile.
Programming Language: C++.
Categories:
©2024. Winfy. All Rights Reserved.
By OD Group OU – Registry code: 1609791 -VAT number: EE102345621.