[xcrysden] this is regarding showing of Hydrogen bonding

[Tone Kokalj]

> I have generated a slab of urea crystal of (hkl) orientation and water
> molecules were docked on the generated surface of orientation (hkl). Now I
> would like to know/view where hydrogen bonding took place. It only show the
> hydrogen bonding in urea slab but water molecule are 2.1 A apart from
> Hydrogen atom of urea molecules in slab and I expect a hydrogen bond should
> be there. But it not views the H-bond. Though I change the setting
> Hydrogen Bond setting, but not able to show these H-bond.

There are several empirical paramemers controling the display of
H-bonds. The H...X bond distance is juct one among them: i.e. it is the
required but not sufficent condition for drawing the H-bonds. The other
important parameter is the bond-angle between: R-H....X. All these is
desribed here:

http://www.xcrysden.org/doc/modify.html#__toc__7

If you still have the problems, please send me your structure file, and
I can check what is going on.

Regards, Tone