Welcome to AvTraj’s documentation!¶
AvTraj is tool to calculate accessible volumes of labels attached to biomolecules. using MD trajectories as an input qvTraj can generate, write, and analyze accessible volumes (AVs) with only a few lines of Python code. By the use of LabelLib AvTraj provides programmatic access to latest developments in implicit dye models for FRET experiments.
AvTraj is a python library that allows users to perform simulations of accessible volumes for molecular dynamics (MD) trajectories. AvTraj serves as a high-level interface for the development of new methodologies for structure-based fluorescence spectroscopy.
A wide support of diverse MD formats by the use of MDTraj. Extremely fast calculation of AVs by the use of LabelLib. Extensive analysis functions including those that compute inter-dye distances, FRET-efficiencies, fluorescence decays, distance distributions, and an Pythonic API.
AVTraj includes a command-line application, avana, for screening and analyzing structural models.