/smoldyn-cplx

customized Smoldyn allowing reactions and diffusion on complex macromolecules

Primary LanguageC++

This is a customized version Smoldyn (based on v2.37) to enable simulations of macromolecules such as CaMKII holoenzymes. Rule-based descriptions of reactions are allowed at the binding sites level. For the original version of Smoldyn, please see here.

Installation has only been conducted on Debian or Ubuntu so far. A simple procedure to install can be as follows:

cd cmake
cmake ..
make
sudo make install

There are some OS dependent issues that need to take care of when installing. For example, varaibles in the CMakeLists.txt file such as glib_CFLAGS can be pre-set in ~\.bashrc using export gsl_CFLAGS=$(pkg-config --cflags glib-2.0).