Methods for aggregation an visualisation of interaction fingerprints derived from Molecular Dynamics simulations.
Available as jupyter-notebook files in the tutorials directory.
An anaconda yaml file (prolif-ifpaggvis.yml) is provided for easy installation as new anaconda environment. Please adjust the prefix at the bottom of the file to the path of your anaconda environment.
conda env create -f prolif-ifpaggvis.yml
Unless otherwise noted, all files in this directory and all subdirectories are distributed under the Apache License, Version 2.0
Copyright 2023 Sabrina Jaeger-Honz
Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at
http://www.apache.org/licenses/LICENSE-2.0
Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing