13 Jul
2009
13 Jul
'09
5:29 p.m.
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