Fragments extractor window

 

     This window helps to extract bonded fragments from large structures. It can be useful, in particular, for working with crystallographic data (when duplicated cells are shown). Before opening this window, at least one atom must be selected. Only selected atoms will be shown on the image after opening this window (they will be counted as extracted atoms).   

            +Bonds             Shows all atoms bonded with already shown ones. If the "Use H-bonds" checkbox is checked, atoms bonded via H-bonds will be shown too;

            +5 bonds           Does the same 5 times;

            +Spheres          Shows all atoms placed close enough to already shown ones (within the distance specified in "Radii" checkbox);

            -                       Restores previously shown atoms.

Note that when this window is opened, in the Coord more only the coordinates of shown atoms are printed.

             If Chemcraft incorrectly identifies bonds in molecule, you should manually set all bonds via Ctrl+B and then choose "Tools/Supporting/Update possible bond lengths table". To male a bond dotted, double-click on it and alter its type (make it "H-bond").

 

 

 

BACK