Welcome to PyFlex!
PyFlex consists on the prediction of flexibility of a protein from its sequence, using root mean-square fluctuations as B-factor-like scores, which can be compared with B-factors obtained from crystallographic structures after a normalisation step.
To obtain these scores, we use an approach based on GNMs, which allows us to simulate protein systems in a simpler and faster way than with MD and with good quality results.
Please download the latest version of our program: "PyFlex-0.4.tar.gz".
You can find the methods implemented and the installation tutorial in the attached report "PyFlex_Protein_Flexibility_Report.pdf".
We also provide some examples and their respective result and discussion.
The other zip folders contained in this repository belong to supplementary material, as described in the report.