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
