到这里,基本上和python没什么用
但是,强制有用
举个例子,假设,我有10个蛋白需要比较,计算rmsd
此处,以aligh为例
蛋白为:6BHT,4WYM,6OBH,6ECN,5HGL,2PWM,2PWO...available at "www.flexerasoftware.com".
# 将pdb id号存储为list
In [2]: pdb_list = ['6BHT','4WYM','6OBH','6ECN...Detected mmCIF
# 查看object名单
In [6]: pymol.cmd.get_object_list()
Out[6]:
['6BHT',
'4WYM',
'6OBH',
'6ECN...', '2PWO'),
('6BHT', '6ECO'),
('6BHT', '6OMT'),
('6BHT', '3J3Y'),
('4WYM', '6OBH'),
('4WYM', '6ECN...', '5HGL'),
('6ECN', '2PWM'),
('6ECN', '2PWO'),
('6ECN', '6ECO'),
('6ECN', '6OMT'),
('6ECN', '3J3Y