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Create YASARA scenes
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Ion sites: show arrows between ion and ligand? #4

Closed touwwouter closed 10 years ago

touwwouter commented 10 years ago

Do we want to include lines between ion and ligand?

YASARA syntax would be:

ShowArrow(Start="AtAtom", startatom, End="AtAtom", endatom,
          Radius=0.1, Heads=0, Color="grey")

The ion_sites dict parsing has already adapted to do this.

touwwouter commented 10 years ago

No, the ion and 'ligands' listed in the iod files are not necessarily the (most) meaningful ones.