flex_drive.tbl

This file contains torsion positions assigned to each rotatable bond when the torsion_drive parameter is used in dock.

Table 15. Selected entries from flex_drive.defn

drive_id 2

positions 2

torsions 0 180

_________________________________________

drive_id 3

positions 3

torsions -60 60 180

_________________________________________

drive_id 4

positions 4

torsions -90 0 90 180

_________________________________________

drive_id 6

positions 6

torsions -150 -90 -30 30 90 150

 
 

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