如何用PyMOL选定疏水、亲水、芳香族和带电荷的氨基酸

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发表于 2011-10-7 06:23:21 | 显示全部楼层 |阅读模式
基本都使用命令行实现,有些步骤需要更具自己的需要作调整,但是关键还是理解

1.选定疏水氨基酸
mstop
dss
hide all
show cartoon,all
color gray,all
select hydrophobes,(resn ala+gly+val+ile+leu+phe+met)
show sticks, (hydrophobes and (!name c+n+o))
color orange,hydrophobes
disable hydrophobes
set cartoon_smooth_loops,0

2.选定亲水氨基酸
mstop
dss
hide all
show cartoon,all
color gray,all
select hydrophilics,(resn arg+lys+his+glu+asp+asn+gln+thr+ser+cys)
show sticks, (hydrophilics and !name c+n+o)
color green,hydrophilics
disable hydrophilics
set cartoon_smooth_loops,0


3.选定芳香族氨基酸
mstop
dss
hide all
show cartoon,all
color gray,all
select aromatics,(resn phe+tyr+trp+his)
show sticks, (aromatics and (!name c+n+o))
color green,aromatics
disable aromatics
set cartoon_smooth_loops,0

4.选定带电荷氨基酸
mstop
dss
hide all
show cartoon,all
color gray,all
select pos,(resn arg+lys+his)
show sticks, (pos and !name c+n+o)
color marine,pos
disable pos
select neg,(resn glu+asp)
show sticks, (neg and !name c+n+o)
color red,neg
disable neg
set cartoon_smooth_loops,0
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