[Kalzium] [Bug 206777] New: atoms overlap when importing .smi file (SMILES)

fenn at sdf.lonestar.org fenn at sdf.lonestar.org
Tue Sep 8 19:33:24 CEST 2009


https://bugs.kde.org/show_bug.cgi?id=206777

           Summary: atoms overlap when importing .smi file (SMILES)
           Product: kalzium
           Version: unspecified
          Platform: Compiled Sources
        OS/Version: unspecified
            Status: UNCONFIRMED
          Severity: normal
          Priority: NOR
         Component: general
        AssignedTo: kalzium at kde.org
        ReportedBy: fenn at sdf.lonestar.org


Version:           4:4.2.2-0ubuntu1 (using Devel)
Installed from:    Compiled sources

echo 'c1ccccc1C=O' > test.smi

in kalzium, tools->molecular editor->load molecule
change filter to "all files" and pick test.smi
now you will see only one sphere, because all of the atoms are at 0,0,0
if you press 'optimize' they will spread out, but this should happen
automatically.

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