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Atom label numbering in XYZ files

I have an XYZ file containing a small number of C and H atoms (the last field is the atomic number, this can be removed as its not relevant to the question)

9
cumulene4
C 0.61631000 0.58536000 -0.94606000 6
C 1.24898000 1.18625000 -1.91721000 6
H 2.07116000 0.70331000 -2.43456000 1
H 0.97049000 2.18558000 -2.23446000 1
C -0.00000000 -0.00000000 -0.00000000 6
C -0.61631000 -0.58536000 0.94606000 6
C -1.24897000 -1.18625000 1.91721000 6
H -0.97046760 -2.18557176 2.23447086 1
H -2.07115989 -0.70331959 2.43455678 1

When i display the molecule with atom labels in Avogadro 1.95, the number component of the label depends on what element it is, not its atom row number (e.g. the first H atom shows up as H1, not H3). Can this latter behaviour be a) restored as the default like in Avogadro 1 , or b) set as default in the new Avogadro’s configuration settings?

We definitely want to add more config options to the labels - only so many hours in the day.

  • Plain atomic index (1, 2, 3, etc.)
  • Element symbol only
  • Element + index
  • Custom data

Marc Masó also started work on a label editor tool (and custom labels by script). More on that in a bit.

The patch for the label editor is here for anyone who wants to try it: