I have undertaken structure-based Virtual Ligand Screening
and I have made a hitlist
. I docked from an index
of the sdf and I want to add the columns from my original sdf file into the hitlist - how can I do this?
You can extract data from the original sdf file (e.g. ScreeningDB) using the index .IX column in the hitlist (mydock_answers).
read index "//path/ScreeningDB.inx" #read in index
read table index ScreeningDB[mydock_answers.IX]