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?