feature request.
On Wed, Mar 3, 2010 at 5:29 AM, Alan Hewat <[email protected]> wrote:
> Thanks Angel. bondTolerance and minBondDistance look useful, but only to
> add a fixed distance for deciding to bond atoms, or to set a fixed minimum
> requirement for bonding. I would like to be able to say "bond if the atoms
> are within the sum of their radii plus/minus some fraction".
>
> And of course for inorganic structures I would like to use ionic radii
> rather than atomic radii to decide whether to draw bonds or not.
>
> I guess "bond" is not really the correct term here; I prefer "connect".
> The "bonds" that we draw, especially for ionic materials, are only there
> to indicate which pairs of atoms are within the sum of their radii
> plus/minus some fraction.
>
> Alan.
>
> Angel Herráez said:
> > Hi Alan
> >
> > Maybe you can use this:
> > http://www.stolaf.edu/academics/chemapps/jmol/docs/#setbondstyles
> >
> > set bondTolerance (decimal)
> >
> > When autobonding, the value of bondTolerance is added to the two bond
> > radii of atoms
> > being tested for a bond. A larger bondTolerance allows atoms that are
> > further apart than the
> > sum of their listed radii to still be bonded. This parameter should be
> > adjusted prior to file loading for proper maintaining of the Jmol state.
> >
> > set minBondDistance (decimal)
> >
> > Sets the minimum bond distance for autobonding. Should be set prior
> to
> > file loading for proper maintainence of the Jmol state.
> ______________________________________________
> Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE
> <[email protected]> +33.476.98.41.68
> http://www.NeutronOptics.com/hewat
> ______________________________________________
>
>
>
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