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IT 와 Social 이야기/Python

[J-sec] 3D Structure Plot of Covid19 using BioPython and Py3Dmol

by manga0713 2020. 8. 17.







■ Covid19 (코로나19)의 구조를 3D로 보기



3D Structure of Covid

  • File Format
    • pdb :PDBParser() legacy
    • cif :MMCIFParser() recent

links

Pkgs

  • pip install nglview
  • pip install py3Dmol
  • pip install pytraj

  • jupyter-nbextension enable nglview --py --sys-prefix

  • nglview enable
  • jupyter-labextension install @jupyter-widget/jupyterlab-manager
  • jupyter-labextension install nglview-js-widgets


Visualizing the 3D structure

  • using nglview
  • py3Dmol
  • using pytraj
  • squiggle