TS2CG converts triangulated surfaces (TS) to coarse-grained membrane models for molecular simulation. It also works as a backmapping algorithm from dynamically triangulated surfaces simulations to CG molecular dynamics simulations or to take electron microscopy tomography data and build structures for molecular dynamics simulations.
NOTE: this version is under development and might be associated with errors and bugs. Please use the previous version if you are not in direct contact with the developers. Previous version can be found https://github.com/marrink-lab/TS2CG1.1
TS2CG is implemented in C++ and includes three separate scripts. Pointillism (PLM) and Membrane Builder (PCG) and Solvate (SOL).
The minimum installation requirements are:
- Up-to-date C++ compilers.
- Python 3.6 or later.
- CMake version 3.10 or later.
TS2CG builds with the CMake build system, requiring at least version 3.10. You can check whether CMake is installed, and what version it is, with
cmake --versionIf you need to install CMake, then first check whether your platform’s package management system provides a suitable version, or visit the CMake installation page for pre-compiled binaries, source code and installation instructions.
pip3 install TS2CGpip3 install git+https://github.com/weria-pezeshkian/TS2CG1.2git clone https://github.com/weria-pezeshkian/TS2CG1.2
cd TS2CG1.2
python3 -m venv venv && source venv/bin/activate # Not required, but often convenient.
pip3 install .TS2CG --help...
TS2CG PLM -h...
TS2CG PCG -h...
TS2CG SOL -h