Knime nodes to run docking calculations using Gold /Autodock

Community Extensions Erlwood
#1

Hello everyone,

Can someone share some information about the knime nodes available for performing Gold and Autodock docking calculations?

Thanks,

vigneshwari

 

#2

Hi,

What we do with autodock (this is rather crude way) is sending structures from KNIME via SSH node to server, then docking by our bash script and returning results back to KNIME as scoring table.

 

maybe this help,

Filip