InChI Web Demo: The structure display tool on the tab "Convert Molfile to InChI" falsely displays the * atoms of the haptic bond definitions.

[gblanke02]

@gblanke02

I also tried the ruthenium complex [Ru(H2)(H2O)5] which has the expected 12H count - but I'm a bit confused about the structure display in the lower right. Is it intentional that there are three white "spheres" shown - with the central one presumably the "* pseudo atom"?!? If that is indeed the case, it should be displayed differently from the hydrogen atoms.

Also, something does not seem to be right with the /c layer:

InChI=1B/H12O5Ru/c1-6(2,3,4,5)7-8-6/h1-5H2

It appears to me when you select the "canonical index" that the node number #6 is incorrectly assigned to the "* pseudo atom" and not one of the oxygen atoms, among which one remains un-labelled.

The canonical labels are: O1, O2, O3, O4, Ru5, H7, H8

Label #6 is on the "third white sphere" and one O has no canonical label at all - looks like an indexing problem

@schatzsc
Ferrocene shows a similar issue in the structure display tool. The display in the structure display tools is based on information of the auxinfo. The auxinfo keeps the original * atoms that are taken out during the determination of the InChI in case of haptic bonds. The auxinfo is not adaptedaccordingly (it has to represent the original input structure). What you see in the "discrapncy" netween the original structure and the related InChI. I create a seaparte issue for that.

Originally posted by @gblanke02 in #168