This library was developed for the postprocessing and for the analysis of data obtained from the EXCOGITO software (https://github.com/potestiolab/excogito), a program investigating the mapping problem in coarse-grained modelling of biomolecules.
For more information about the software and for some use cases have a look at:
- A Multiscale Analysis of the CzrA Transcription Repressor Highlights the Allosteric Changes Induced by Metal Ion Binding, M Rigoli, R Potestio, R Menichetti, The Journal of Physical Chemistry B 2025, 129(2), 611-625
- EXCOGITO, an EXtensible COarse-GraIning TOol, M Giulini, R Fiorentini, L Tubiana, R Potestio, Journal of Chemical Information and Modeling 2024, 64(12), 4912-4927
- A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules, R Menichetti, M Giulini, R Potestio, The European Physical Journal B 2021, 94(10), 1-26
- An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules, M Giulini, R Menichetti, MS Shell, R Potestio, Journal of Chemical Theory and Computation 2020, 16(11), 6795-6813
This library has been put together by Alessia Guadagnin Pattaro, a PhD student at the Statistical and Biological Physics group at University of Trento. The previously cited papers do not use this library for their own data analysis.
The library is still under development, I am not a professional coder so the project may lack some technicalities
There are no particular requirements for this library.
- Download the repository on your local machine;
- Install the repository with
pip install /path/to/alexor withpip install -e .to install the package globally.
It is possible to install the library in conda environments as well.