[Bug] vesta 3.4.0 64x win 10 bonds/polyhedra

[yot...@gmail.com]

It seems there is a bug in win vesta 3.4.0 (didn't test for other platforms/vesta_versiona, would be grateful if someone try to reproduce this on mac/linux).

How to reproduce:

1. Take any sample .cif file, e.g. http://www.crystallography.net/cod/9002806.cif

2. Vesta automatically create Sr-O and Ti-O bonds.

4. Open bonds menu (Ctrl+B).

5. Make new bond, e.g. Sr-Sr for max length 4 Å.

6. Untick the "Poly." box, click OK.

7. Vesta should crush.

However if we use "do not search atoms beyond boundary" as boundary option all works fine.

[Micah Prange]

I can reproduce your bug in mac vesta 3.3.9. In version 3.4.0, there are no automatically created bonds, and your recipe does not cause vesta to crash.

HTH 

[yot...@gmail.com]

Thank you for attempt to reproduce this.

>In version 3.4.0, there are no automatically created bonds

Even with activated Edit -> Preferences -> "Start-up search for bonds" option?

Could you try to manually add bonds according to attachment before add Sr-Sr bond?

[Micah P. Prange]

Hi,

The preferences have been set to search for bonds on start-up throughout my testing today. The automatic bond search seems to be broken in 3.4.0 on my system. If I manually add the bonds, your recipe does not cause vesta to crash -- the Sr-Sr bonds appear as they should, even after manually adding the bonds that should be found by the automatic search.

Best,

Micah

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[Koichi MOMMA]

There was a bug in v3.4.0 that caused VESTA to crash when searching bonds in a certain case. Please upgrade to the latest version 3.4.2.

Best regards,
Koichi


Micah P. Prange wrote on 10/25/17 12:57 AM:

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