Docking against multiple grids

Hi,

The Glide Grid Reader node supports reading multiple grids, but how can these be used for virtual screening against multiple grids? As far as I can tell only the first grid is used in subsequent docking nodes. Does it require looping over the grid files?

Thanks/Evert

Hi Evert,
Just a quick note to say that you can use the options highlighted in the Ensemble docking workflow example available from https://www.schrodinger.com/knimeworkflows
It uses the options of looping over the the grids specified in the Glide Grid Reader node and docks the structures to each grid using the regular Glide Ligand docking node.

Hope this helps and please just let us know if there is anything we can do to help.
Please feel free to reach out directly to help@schrodinger.com and we can help you further if any specific issues related to the docking calculations.

Many thanks,

Katalin

Many thanks Katalin!

best/Evert