atomselect doesn't recognize numbonds

[raimis]

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 Molecule
mol = Molecule('3PTB')
mol.atomselect('numbonds = 2')

RuntimeError: Failed to parse selection numbonds = 2 with error Syntax error at ''numbonds''

[giadefa]

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'' — Reply to this email directly, view it on GitHub <#122>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AB3KUORW775SFU5VXFULKPLWOW6G7ANCNFSM6AAAAAATH2TIGI> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

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