Hi Mchal, TransformConformer can rotate molecule with given rotation matrix I think.
I rotate mol by using the method. Following code rotates molecule around x, y, z axis. https://nbviewer.jupyter.org/github/iwatobipen/playground/blob/master/rotation_mol.ipynb Unfortunately molecule will not render on github but you can view molecule if you run the code on your PC. I hope this would be some of help. Best regards, Taka 2019年2月26日(火) 17:55 Michal Krompiec <michal.kromp...@gmail.com>: > Hello, > I'd like to check if a particular axis is a C2 symmetry axis of a > conformer. How do I rotate my conformer around an axis? (apart from > extracting the coordinates into numpy, multiplying by a rotation matrix and > updating the coordinates) > Can TransformConformer function be used for this? > Thanks, > Michal > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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