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cryos / avogadro

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
http://avogadro.cc/
GNU General Public License v2.0
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Cartesian editor does not recognize dummy atoms #920

Open ark118 opened 5 years ago

ark118 commented 5 years ago

When I open Avogadro and go to Build > Cartesian editor, it does not recognize dummy atoms. For example, I can enter coordinates for CO2 and I want to place a dummy atom somewhere (X or Xx), it does not work (the coordinates become red).

O       -1.2000000000      0.0000000000      0.0000000000                 
C        0.0000000000      0.0000000000      0.0000000000                 
O        1.2000000000      0.0000000000      0.0000000000    
Xx 0.0 0.5 0.0

Even when I go to Selection tool , select a molecule and add a center of mass and I go back to Build > Cartesian coordinates, it shows an Xx atom there, but if I press Apply, it does not work.

My version is 1.2.0 (Git revision: c1fcc5b). I am running it on OSX (Mojave).

luyaozou commented 3 years ago

yes, unable to add dummy atom is very inconvenient