Crash when deleting atoms from pdb file

General Discussion Support
1

Avogadro2 locks up when I use the selection tool or the drawing tool to delete some atoms in a pdb file. I see that this was an (old) issue in Avogadro1 that was addressed. Indeed when I try this in Avogadro1 there is no problem using either tool to delete atoms from the same file.

Bug?

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2

It should never “lock up” - can you be a bit clearer? A screenshot or screencast? Thanks

Having an example file would also help.

3

Sorry I wasn’t more clear. Avogadro2 simply stopped responding as evidenced by the spinning cursor and the status in Activity Monitor. This was with either the current version or the nightly build (from a week or two ago). This is on MacOS Sequoia fully up to date. Example pdb file attached.

Thanks for your time.

example.pdb (8.8 KB)

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4

Okay, I’ll give it a look. If it stopped responding on the Mac, that’s pretty easy for me to debug if I can reproduce it

5

This set of patches should do it. I fixed the PDB example, then found another bug when trying to delete atoms from ORCA files. (Seems unlikely, but finally found the underlying bug.)

6

Awesome. Thanks for addressing this.