selection-name - abc
selection-name - abc
selection-name - abc
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☞ 电 子 密 度 图<br />
1. Loading PDB file<br />
• File -> Open -> 1w2i.pdb<br />
2. Load the map file<br />
• File -> Open -> 1w2i.map.xplor<br />
• It takes a while to load the map file.<br />
3. Zoom in the active site<br />
• PyMOL> select active, (resi 14-20,38) and chain A<br />
• PyMOL> zoom active<br />
• PyMOL> hide all<br />
• PyMOL> show stick, active<br />
4. Locate and Display the active site water<br />
• PyMOL> select active_water, ( (resi 38 and <strong>name</strong> ND2 and chain A) around<br />
3.5) and (resn HOH)<br />
47
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