PACKMAN-Molecule: Python toolbox for structural bioinformatics

Pranav M Khade; Robert L Jernigan

doi:10.1093/bioadv/vbac007

PACKMAN-Molecule: Python toolbox for structural bioinformatics

Bioinform Adv. 2022 Feb 9;2(1):vbac007. doi: 10.1093/bioadv/vbac007. eCollection 2022.

Authors

Pranav M Khade¹, Robert L Jernigan¹

Affiliation

¹ Bioinformatics and Computational Biology Program, Roy J. Carver Department of Biochemistry, Biophysics and Molecular Biology, Iowa State University, Ames, IA 50011, USA.

Abstract

PACKMAN-molecule is a Structural Bioinformatics toolbox in the form of an Application Programming Interface that contains several utilities that can be used for structural bioinformatics applications. It has already been used in several applications, and its added features and unique object hierarchy make it readily extensible, feature-rich and user-friendly. The tutorial for it is available at: https://py-packman.readthedocs.io/en/latest/tutorials/molecule.html.

Availability and implementation: PACKMAN-Molecule is freely available with an MIT license on GitHub at https://github.com/Pranavkhade/PACKMAN.