GitHub - madscatt/sasmol: Library for defining molecular objects to create simulation and analysis programs

SASMOL

Library for defining molecular objects to create simulation and analysis programs

To install:

python setup.py install

dependencies:

numpy, mocker

Name	Name	Last commit message	Last commit date
Latest commit madscatt changed merge_two_molecules so that the merged resid is a numpy.int; … Mar 6, 2019 817c9fa · Mar 6, 2019 History 89 Commits
development_tools	development_tools	updated notes	May 24, 2016
src	src	changed merge_two_molecules so that the merged resid is a numpy.int; …	Mar 6, 2019
LICENSE.md	LICENSE.md	changed license file	Dec 11, 2015
README.md	README.md	minor edits to readme and added a note about cloning the repo	Dec 18, 2015
setup.py	setup.py	added test for +1 det([ak]) for eigenvectors	Dec 13, 2016
setup_no_tests.py	setup_no_tests.py	added data_files statements to include required files for tests	Dec 14, 2015