pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
Provide instructions to set up a cross-platform virtual environment where pyMBE and ESPResSo can be imported directly in the Python interpreter. Provide instructions to set up a Jupyter kernel that uses that environment.
The Makefile no longer hardcodes the path to the ESPResSo build folder. The sample scripts and notebooks no longer need to detect where the pyMBE library is located.
Fixes #10
Provide instructions to set up a cross-platform virtual environment where pyMBE and ESPResSo can be imported directly in the Python interpreter. Provide instructions to set up a Jupyter kernel that uses that environment.
The Makefile no longer hardcodes the path to the ESPResSo build folder. The sample scripts and notebooks no longer need to detect where the pyMBE library is located.