俺也想看看氢键是否产生，总结了一下看到的帖子，大侠们是为样说的：
1. For H bonds, insert the command HTAB in the .ins file and refine with XL. This generates the symmetry operator for you. In the .lst file, find the desired output, which looks like:
Hydrogen bonds with H..A < r(A) + 2.000 Angstroms and 110 deg.
D-H d(D-H) d(H..A)
O1-H1 0.880 1.988 168.39 2.855 O1 [ x-1/2, -y+5/2, -z ]
In the .ins file, insert an EQIV command that defines how atom O1 (the donor) is related to atom O_$1 (the acceptor) and an HTAB command that requests the distance.
EQIV $1 x-1/2, -y+5/2, -z
HTAB O1 O1_$1
The result may be viewed in the .lst file:
Specified hydrogen bonds (with esds except fixed and riding H)
D-H H...A D...A <(DHA)
0.880(17) 1.988(17) 2.8555(7) 168.4(16) O1-H1...O1_$1
If ACTA was present in the .ins, the .cif will contain information on H bonding, which can be printed by saying yes to the H bonding table when running XCIF.
我正在做晶体结构图和一些弱相互作用，请问寻找氢键有什么原则吗？距离？A-H....B键角？还有堆积晶胞图里边自动显示的氢键 能说明什么？
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