FLEXR GUI: a graphical user interface for multi-conformer modeling of proteins.

ABSTRACT: Proteins are well known 'shapeshifters' which change conformation to function. In crystallography, multiple conformational states are often present within the crystal and the resulting electron-density map. Yet, explicitly incorporating alternative states into models to disentangle multi-conformer ensembles is challenging. We previously reported the tool FLEXR, which, within a few minutes, automatically separates conformational signal from noise and builds the corresponding, often missing, structural features into a multi-conformer model. To make the method widely accessible for routine multi-conformer building as part of the computational toolkit for macromolecular crystallography, we present a graphical user interface (GUI) for FLEXR, designed as a plugin for Coot 1.

SUBMITTER: Stachowski TR 

PROVIDER: S-EPMC11001397 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature