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epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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The movements of the structures after Clean Up action when reaction present #351

Open AndreiMazol opened 3 years ago

AndreiMazol commented 3 years ago

Steps to reproduce:

  1. Call 'clean up' method for any reaction

Expected result: Position of structure is not changed.

Actual result: Position of structure has been updated.

AlexanderSavelyev commented 3 years ago

@AndreiMazol please insert molfiles as txt files (the examples above are corrupted)