[Cdk-user] Fwd: [Jmol-developers] Covalent bonding radius questions

[<eg...@sc...>]

----- Forwarded message from Miguel <mt...@mt...> -----
    Date: Mon, 27 Jan 2003 22:24:13 +0100 (CET)
    From: Miguel <mt...@mt...>
Reply-To: Miguel <mt...@mt...>
 Subject: [Jmol-developers] Covalent bonding radius questions
      To: eg...@sc...

Egon,

I did some testing to compare the behavior of the applet with RasMol and
Chime.

I observe that their technique for determining bonds is different from
what we are using in Jmol. In particular, given a .pdb file which does not
contain bond connection information, RasMol creates a lot more bonds that
we do.

RasMol creates the bonds as a function of the covalent bond radius of the
different types of elements. To date, I have only seen references to vdw
radius in the jmol code. And I have not taken a look at the *auto-bonding*
code. Is the covalent bond radius information available in cdk?

Miguel





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