Pymol教程 -- 运行Python脚本

Pymol教程 – 运行Python脚本

Pymol简单命令

移除水分子

remove solvent

相互作用一键脚本

脚本是一个python文件：*.py

cmd.delete("all")
cmd.load("4bkl.pdb","test")
cmd.hide("lines","all") 
cmd.remove("hydrogens")
cmd.bg_color("white")
cmd.show("cartoon","test")
cmd.set("cartoon _fancy helices",1)
cmd.set("cartoon_transparency",0.6)
cmd.select("ligand","resn UNK")
cmd.show("sticks","ligand")
cmd.set("valence",0)
cmd.select("active_site","byres all within 5 of ligand")
cmd.show("tines","active_site")
cmd.set("line_width",1)
cmd.color("grey","active _site and(elem C*)")
cmd.color("yeliow","ligand and(elem C*)")
cmd.set("cartoon_color","gray")
cmd.distance("hbonds","ligand","active_site",3.2,2)
cmd.hide("labels","hbonds")
cmd.set("dash_color","black")
cmd.set("dash_width",1.5)
cmd.set("dash_Length",0.3) 
cmd.set("label_size",-0.8) 
cmd.set("label_font_id",7)
cmd.set("depthcue",0)
cmd.set("ray_trace_mode",0)
cmd.set("ray_shadows",0)

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