Is there a way to rigidly align a 3D molecule to a fragment? I want to compare several conformations by aligning a rigid part of the molecule
Best regards, Jan ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss