python腳本運行方式：
1, File->Run Script->選擇python腳本;
2, run python腳本
常用命令：
load *.pdb
remove solvent
select str1, resn Cl-
remove str1
align WT_ligs, WT_box_wat_eq3 #后面的是target
alignto WT_ligs #把所有pdb都align到WT_ligs
show sticks, resi 87
set label_size, -1.4
set label_color, black, selection
select selection, resid 84+85+86+94+98+101+151+273+274+278+282+285+336+341+342+345+346+348+418+421+422+423+425+426+430
png image.png, 10cm, dpi=300, ray=1
png image.png, width=3000, height=2400, dpi=300, ray=1
高精度做圖命令：
hide
hide labels, agi
show sticks, lig | res #棒狀顯示lig和res對象，"|"為邏輯“或”
select 5A， byres ligand around 5 #選取ligand5A范圍內殘基
hide sticks, h. #隱藏H原子
zoom lig | res #居中放大lig和res，其他對象虛化
color wheat, lig & name C* #將lig的碳原子（以C開頭的原子名）設為小麥色
set label_size, 30
set label_font_id, 9
#########
import center_of_mass
select AGI1, resn AGI & name C2+C3+C4+C5+C6
com AGI1, object=p1
select AGI2, resn AGI & name C7+C8+C9+C10+C11
com AGI2, object=p2
hide everything, p*
show spheres, p*
set sphere_scale, 0.4
hide labels, measure*
set dash_length, 0.3
set dash_radius, 0.08
set dash_gap, 0.3
color green, measure01
color gray70, measure02
bg_color white
show cartoon
#########
color smudge, lig & name C*
set cartoon_transparency, 0.5
set cartoon_round_helices, 1
set cartoon_fancy_helices, 1
set cartoon_fancy_sheets, 1
set cartoon_color, green, FLS_TPP_DHA & chain A #設置不同鏈的cartoon不同顏色
set stick_ball #顯示棍棒模型
set stick_ball_ratio, 1.8
set stick_h_scale, 0.8
unset opaque_background # 設置背景透明，只在ray下有用
#########
save focus.pse
png label.png
hide labels
png focus.png, 16.93cm, 16.93cm, dpi=300, ray=1
zoom
set cartoon_transparency, 0
png overview.png, 20cm, 18cm, dpi=300, ray=1
save overview.pse
高階命令：
load candidate.pdb, c_run4
select run4_AGI, c_run4 & resn AGI
sel active_run4, byres c_run4 within 5 of run4_AGI
show sticks, active_run4
show surface, active_run4
show surface, byres c_run4 within 5 of run4_AGI
...