Clean up molecule ignores molecule's orientation

bryanherger / xdrawchem

XDrawChem is a two-dimensional molecule drawing program.

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Clean up molecule ignores molecule's orientation #10

Open Krzmbrzl opened 6 years ago

Krzmbrzl commented 6 years ago

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 commented 6 years ago

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