Conformer’s coordinate screening¶

Investigate the changes to the molecule when varying the variables used during conformer optimization.

[2]:

from tqchem.molgraph import molecularSystem
from tqchem.viewer import coordinate_screener

mol = molecularSystem("CCCCC1CC(CNCCCCC)CCC1")
mol.draw()
coordinate_screener(mol, zoomTo=False)

../_images/examples_conformer_coordinate_screening_1_0.png

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