I’m having issues with the docking node of the Schrodinger extension.
I keep getting this error message and can’t find any kind of answer about it
on internet. It seems that the temp files are not getting created. I am
wondering if that has to do with the fact that folders (not the files) are in
ERROR Glide Ligand Docking 0:32 The simplified input file
‘drive:\name\temp file\GlideLigandDocking_881598507.in’ does not
exist. Not able to append the constraints.
ERROR Glide Ligand Docking 0:32 Execute failed: Canceled
There is no specific constraints specified.
It’s like the node is either not creating the temp files or cannot access them.
Please let me know if you have any recommendation.
I’m really sorry to hear that you are seeing problems when running Glide docking from Knime using our Schrodinger nodes.
Can I please ask you to contact us at firstname.lastname@example.org and we can help you further to make sure it will be working for you as soon as possible?
If you can send us the example workflow you are using with sample input files, this would be great, but also if you can send us the Setup Diagnosis node output this will also help us to collect some additional background information to help to troubleshoot this further for you.
From the error message, the temporary location may not be correctly defined. Can you please check this under the File > Preferences > Knime > Schrodinger section and make sure the temporary files are local to your machine?
Please just email this information to email@example.com and we will help you further as soon as possible.