Re: [Jmol-users] How to select defects

[Miguel <mi...@jm...>]

> Dear All,
>
> I'm very novice in using JMOL. I want to model defects (like vacancies =
or
> interstitials) in SiC, using the XYZ file format. I defined VC for a
> carbon-vacancy.

Jmol expects the XYZ format to contain element symbols.

You cannot define your own element symbol.

> My question is what the command is in JMOL to select VC,
> and for example to change its color. The command in Rasmol is =22select=

> *.VC?=22.

I am surprised ... I did not know that RasMol could do this with an XYZ f=
ile.

> But this command doesn't work in Jmol.
>
> Does anybody know the appropriate command?

Jmol will never recognize element type VC.

Anything unrecognized gets mapped to the element name 'unknown' (or
'dummy') whos element symbol is Xx.

Alternatively, if you store your data as a PDB file then you can make the=

atom name VC and it will work just like you described above

  select *.VC?



Miguel