the main function of Xponge is to generate initial inputs for molecular dynamics simulations required by CudaSPONGE.
Xponge comes with certain pre and post-processing functionalities.
Xponge is capable of creating automated workflows for complex molecular dynamics simulations.
Xponge provides certain general molecular processing functionalities.
To install using pip:
pip install Xponge
The VMD plugin for CudaSPONGE enables VMD to visualize the conformations and trajectories generated by CudaSPONGE.
Click the link below to download, then follow the instructions in the file named README.md.