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KIAM Preprint  97, Moscow, 2019
Authors: Filippov S.V.
Method for the identification of atoms of macromolecules visualized in 3D-editors
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
Publication language: russian,  pages: 10
Research direction:
Programming, parallel computing, multimedia
Russian source text:
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About authors:
  • Filippov Sergey Valer'evich,  orcid.org/0000-0002-6378-491XKIAM RAS