Re: [Jmol-users] adding hydrogens (Was: loading jmol file from openbabel)

[Angel H. <ang...@ua...>]

On 29 Jan 2007 at 15:16, Francesco Pietra wrote:
> Let me say that a package dealing with molecules that
> does not place hydrogens correctly is of no use
> professionally. I must add that I am strongly
> disappointed, and back to my old MM package, which
> places the hydrogens correctly, like the nonvolatiles.
> How do you start a quantum mechanical computation with
> hydrogens not at their due place?

No reason for disappointment, Francesco. The point is: Jmol is NOT a quantum 
mechanical computation package, nor a molecular mechanics package. It is a molecular 
VIEWER.
On the other hand, the capability may be there, since I understand it is somehow used in 
one of the options for molecular surfaces.