You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Reading and SDF file created with structures optimized by MOPAC includes properties such as the dipole moment. When these are read the units of the properties -- which are not carried in the SDF file and would not be handled by the reader if they were -- are not added when the property is created. The property has the form of 'dipole moment#MOPAC#PM6-ORG' which is not found in the standard properties due to the added attributes of the code and model.
What I Did
Paste the command(s) you ran and the output.
If there was a crash, please include the traceback here.
The text was updated successfully, but these errors were encountered:
Description
Reading and SDF file created with structures optimized by MOPAC includes properties such as the dipole moment. When these are read the units of the properties -- which are not carried in the SDF file and would not be handled by the reader if they were -- are not added when the property is created. The property has the form of 'dipole moment#MOPAC#PM6-ORG' which is not found in the standard properties due to the added attributes of the code and model.
What I Did
The text was updated successfully, but these errors were encountered: