FRETraj is a Python module for predicting FRET efficiencies by calculating multiple accessible-contact volumes (multi-ACV) to estimate donor and acceptor dye dynamics. The package features a user-friendly PyMOL plugin1 for for FRET-assisted, integrative structural modeling. It interfaces with the LabelLib library for fast computation of ACVs. Specifically, FRETraj is designed to:
Follow the instructions for your platform here
If you use FRETraj in your work please refer to the following paper:
1 PyMOL was developed by WarrenDeLano and is maintained by Schrödinger, LLC.
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Predicting FRET with accessible-contact volumes
We found that fretraj demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 1 open source maintainer collaborating on the project.
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