Glide Grid problem

Hello there,

I am experiencing problem in generating the Glide grid in KNIME, I basically get a missing value. I could do it with the software but not within KNIME. Is someone experiencing this problem as well and solved it?

Cheers,

Silvia

Dear Silvia,

I’m sorry to hear that you run into a problem with the Glide Grid generation node. Can I please check with you how you defined the ligand or what options you used for setting up the grid center? By default, the ligand is defined automatically but if the default ligand detection is not automatically identifying your ligand you may need to use a custom ASL. If you don’t have a ligand present in your input file, you could specify the grid center by the X, Y, Z coordinates using the ‘Supplied X,Y,X coordinates’ option on the node. Could you please check to see if this would work out ok?
If the problem still remains, if you can share the example workflow that shows the problem, we are happy to check this further for you.
Please also contact us directly by emailing: help@schrodinger.com and we would be happy to help you further.
You could also use the example workflow accessible from: Protein preparation and Glide grid generation – KNIME Hub for more information.

Hope this helps and please just let us know if there we can do to help,
Many thanks,
Katalin