Hello,
Is there a way to select only standard residues with the "select" command?
I was also wondering if this would work to minimize only H bonds:
runCommand('select @H')
runCommand('minimize freeze unselected nogui true')
If not, how can it be done? When I try the inverse (selecting everything before Hs are added), I get "ValueError: underlying C++ Atom object is missing", which I assume occurs because atoms are removed by Dock Prep.
Thanks in advance!
Alex Gawronski
Carleton University