[chimera-dev] Non-standard residues

Alex Gawronski alex.gawronski at gmail.com
Mon Jul 13 17:29:18 PDT 2009


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
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