| Re: Can you disable SMILES conversion? [message #1175 is a reply to message #1171] |
Tue, 15 December 2020 00:32   |
zsolt
Messages: 4
Registered: December 2020
|
Junior Member |
|
|
Thank you very much for the reply - this works, the processing is much faster indeed.
The only issue now is that when I try to set these plain SMILES strings to be on one of the axes of the 2D plot I get the error message "Column <column name> is neither a descriptor nor does it have a numerical variance" if I try to use it from a macro and it is missing from the options if I try to set it through the GUI. It makes sense not to be able to set a string as one of the axes however it seems to be possible for other string/plain text type columns - presumably because they are "descriptor"s. Is there a way for these plain-text-SMILES columns to be specified as an axis of the 2D and 3D plots?
Thanks,
Zsolt
[Updated on: Tue, 15 December 2020 00:33] Report message to a moderator |
|
|
|
Search
Help
Members
Register
Login
Home
