Open raimis opened 1 year ago
we should probably not have something called numbonds
On Fri, 23 Dec 2022 at 16:10, Raimondas Galvelis @.***> wrote:
Molecule.atomselect doesn't recognize numbonds. This is a deviation from the original VMD implementation ( https://www.ks.uiuc.edu/Research/vmd/vmd-1.9/ug/node87.html)
from moleculekit.molecule import Moleculemol = Molecule('3PTB')mol.atomselect('numbonds = 2') RuntimeError: Failed to parse selection numbonds = 2 with error Syntax error at ''numbonds''
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Molecule.atomselect
doesn't recognizenumbonds
. This is a deviation from the original VMD implementation (https://www.ks.uiuc.edu/Research/vmd/vmd-1.9/ug/node87.html)