"Some features of cannot be converted to smiles" problem

Hello,

 

I've recently discovered that several MOL files from MetaCyc have been printing out this error message:

"Some features of [#7+]~[Cl-] cannot be converted to smiles. Use the cxsmiles, smarts or cxsmarts format."

(this error message in particular pertains to NH4CL--I've attached the mol file).

The error message is the same for several other MOL files such as AQUACOBIIIALAMIN (again, attached)

To get this error message I'm running this command:

cxcalc -N hi majorms -H 7 AQUACOBIIIALAMIN.mol

Using MarvinBeans 5.11.1.

What could be the problem?

Hello,

Thank you for your feedback.

The problem is that your molecules contain "ANY" bonds.
Calculations are not supported for molecules that contain "ANY" bonds; however, the error message is not correct  in this case in cxcalc. We will update the error message.

Best regards,

Viktoria