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我是 Pymol 的新手。如何在选择中打印所有氢键?目前我只能得到一个数字,而选择中还有许多其他氢键。

还有一个地方我可以通过命令行或通过脚本找到 pymol 的综合手册?

我目前的片段是:

with pymol2.PyMOL() as p1:
    p1.cmd.load("reduced-one.pdb")
    p1.cmd.select('sela','resn NDP')
    p1.cmd.select('selb','br. all within 10 of sela')
    p1.stored.count = 0
    p1.cmd.iterate("resn NDP", "stored.count += 1") #no of atoms in sela
    p1.cmd.iterate("br. all near 5 of resn NDP", "stored.count += 1") #no of atoms in selb
    p1.stored.dist = []
    A = p1.cmd.distance('hbonds','sela', 'selb',3.5, mode=2)
    print(A) #only one distance obtained

如何打印所有的氢键距离?

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