A tool to process MD trajectories

About

C++ and python library to process MD trajectories.

# from pypi
python -m pip install pyxmolpp2

# from github dev branch
python -m pip install git+https://github.com/sizmailov/pyxmolpp2.git@dev

See install page for more details

The documentation includes usage examples and python API reference.

Issues and PRs are welcome

Software is distributed under MIT license.

Name		Name	Last commit message	Last commit date
Latest commit History 915 Commits
.github/workflows		.github/workflows
bindings		bindings
cmake		cmake
docs		docs
external		external
include/xmol		include/xmol
pyxmolpp2		pyxmolpp2
src/xmol		src/xmol
tests		tests
tools		tools
.clang-format		.clang-format
.gitignore		.gitignore
.gitmodules		.gitmodules
CMakeLists.txt		CMakeLists.txt
Doxyfile		Doxyfile
Doxyfile-mcss		Doxyfile-mcss
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
README.rst		README.rst
VERSION		VERSION
setup.py		setup.py