temp file unavailable

Hi,
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
“read only”.
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.
Thanks

Hi,

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 help@schrodinger.com 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 help@schrodinger.com and we will help you further as soon as possible.

Many thanks,

Katalin

Hello,
did you manage to solve this issue? I think i might have the same problem with glide grid generation nodes. i changed the location of temporary files written by schrodinger to a specific folder in documents, (running on a Windows machine) but still, a warning appears saying that the glide gridgen files cannot be found. Thank you.

Hello,

I’m really sorry to hear that you are seeing errors when trying to use the Glide Grid generation node in your workflow. Could you please send the full error message you are seeing and also check if the grid itself can be generated ok using the same settings outside of Knime? The issue could be caused if the glide grid generation fails for some reason and hence it does not generate the zip file. If you make sure you un-set the ‘Delete temporary files after a node successfully executes’ option under File > Preferences > Knime > Schrodinger, can you please check the log files in the temporary files for the Glide grid generation job? If you can share more details about the error we would be happy to help further.
Please also email help@schrodinger.com directly and if you can share an example workflow, we could check this further for you in detail as well.

Hope this helps and please just let us know if there is anything we can do to help.

Many thanks,

Katalin

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