TS2CG version 2.0

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.

State

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

Installation

Prerequisites

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 --version

If 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.

Install TS2CG

From PyPi

pip3 install TS2CG

Directly from GitHub

pip3 install git+https://github.com/weria-pezeshkian/TS2CG-v2.0

From source

git clone https://github.com/weria-pezeshkian/TS2CG-v2.0
cd TS2CG-v2.0
python3 -m venv venv && source venv/bin/activate # Not required, but often convenient.
pip3 install .

Usage

TS2CG --help

Pointillism

...

TS2CG PLM -h

Membrane Builder

...

TS2CG PCG -h

Solvate

...

TS2CG SOL -h

Quick references

About TS2CG
New Updates
Tutorials for version 2.0
Tutorials 1.1