ModeHunter: A Package for the Reductionist Analysis, Animation, and Application of Elastic Biomolecular Motion.

ABSTRACT: ModeHunter is a modular Python software package for the simulation of 3D biophysical motion across spatial resolution scales using modal analysis of elastic networks. It has been curated from our in-house Python scripts over the last 15 years, with a focus on detecting similarities of elastic motion between atomic structures, coarse-grained graphs, and volumetric data obtained from biophysical or biomedical imaging origins, such as electron microscopy or tomography. With ModeHunter, normal modes of biophysical motion can be analyzed with various static visualization techniques or brought to life by dynamics animation in terms of single or multimode trajectories or decoy ensembles. Atomic structures can also be refined against volumetric densities with flexible fitting strategies. The softw

SUBMITTER: Wriggers W 

PROVIDER: S-EPMC12285575 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature