Hi
I have mol2 datafile from molecular docking
I am extracting molecules using openbabel
obabel test.mol2 -O t.mol2 --filter "title='AK-968'"
########## last few lines of molecule mol2 format #####
25 23 21 ar
26 24 21 1
@SUBSTRUCTURE
1 **** 1
@MOL_PROPERTY
Name
SciTegic.value.StringValue
AK-968
@MOL_PROPERTY
minimizedAffinity
SciTegic.value.StringValue
-8.02212
################### end of molecule ########
openbabel extracts the molecules but doesn't include
minimizedAffinity property.
Is there a way to extract this property as well
tried using --append and --property args.
Thanks