PymolFold: A PyMOL Plugin for API-Driven Structure Prediction and Quality Assessment.

Journal: Journal of chemical information and modeling
Published Date: Jan 2, 2026

Abstract

Deep learning has transformed protein structure prediction, yet most state-of-the-art models remain challenging for experimental scientists to access. To address this, we present PymolFold, an open-source PyMOL plugin that seamlessly integrates cutting-edge structure predictors accessible via application programming interfaces into the molecular visualization environment. PymolFold supports both graphical and command-line interfaces for flexible usage and incorporates a structural quality assessment tool for the quantitative evaluation of predictions against reference structures. Together, these features establish a unified "predict-visualize-analyze" workflow, lowering technical barriers and broadening access to advanced structural modeling. PymolFold is available at https://github.com/jinyuansun/PymolFold.

Authors

  • Yifan Deng
    College of Informatics, Huazhong Agricultural University, Wuhan 430070, China.
  • Jinyuan Sun
    AIM Center, College of Life Sciences and Technology, Beijing University of Chemical Technology, Institute of Microbiology, Chinese Academy of Sciences, Beijing, China.

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