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Clean up molecule ignores molecule's orientation

Open Krzmbrzl opened this issue 6 years ago • 1 comments

The following demonstrates the effect quite well:

  • Insert an Imidazole from the Ring-dropdown
  • Use the Clean up molecule on it

Invoking this tool will rotate the molecule around instead of just shifting the atoms around so that the binding angles and bond lengths are correct. Long story short: Invoking this tool should preserve the molecules current orientation.

Krzmbrzl avatar May 14 '18 17:05 Krzmbrzl

Besides rotating the molecule around it sometimes also flips it (vertically in the case of Imidazole)

Krzmbrzl avatar May 15 '18 14:05 Krzmbrzl