Advanced NMR data (PDB) presentations–ensemble view

• 從程式集開啟PyMOL
  Open PyMol
• 載入pdb files, 可用指令模式或用工具列啟動
  load 1m58.pdb ( Use PyMOL Tcl/Tk GUI, File -> open -> 1m58.pdb)
• 消去預先顯示的畫面
  hide all
• 設定觀看畫面視窗
  viewport 640,480
• 背景顏色為white
  bg_color white
• 顯示全部的PDB (totally 15)
  set all_states, on
• 用 line 表示結構
  show line, 1m58
• 隱藏 side chain以及 back-bone上的O, NH
  cmd.hide(“((byres (1m58))&!n;ca,c,n)”)
  註: cmd.hide(“((byres (1m58))&!n;ca,c,n,o,h)”) 就表示單純hide side chain
• 黑色表示backbone
  color black, 1m58
• 改變 line width
  set line_width, 1.5
• 輸出最後結果
  png 15-nmr-pdb.png

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From pymol discussion mailing list (Jan 15, 2006)
Joel Tyndall provides detailing commands

• To see them all at once:

load my_struct.pdb
set all_states

• Or if you want them separated into individual objects:

unset all_states
split_states my_struct
dele my_struct

Last modified: 2004/06/28, 2006/01/21