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JOURNALS // Preprints of the Keldysh Institute of Applied Mathematics // Archive

Keldysh Institute preprints, 2019 097, 10 pp. (Mi ipmp2735)

Method for the identification of atoms of macromolecules visualized in 3D-editors

S. V. Filippov


Abstract: The method of identifying atoms is based on rendering an image that is “parallel” to the main one, on which the projection of each atom is filled with a color corresponding to a specific atom identification number. Such numbers are formed in the process of constructing a 3D model of the molecular structure, stored in a shader, individual for each atom, and written to a text file — a color matching table for the PDB designations of atoms. For visual identification of atoms, a special Python-marking program was written.

Keywords: visualization, structure, macromolecule, atom identification, 3D, Blender, Python.

DOI: http://doi.org/10.20948/prepr-2019-97



© Steklov Math. Inst. of RAS, 2024