Atom Selector

Select atom graphically. Click on an atom to select or deselect. Drag with the mouse to select multiple atoms simultaneously. Shift-drag deselects atoms and ALT drag inverts the selection state.

Options

Molecule Field

Field containing the molecule

Output Field

Column name for the output.

Mode

Interactive or SMARTS selection

SMARTS

SMARTS string for selecting atoms in batch

Hide Hydrogens

If on, hydrogens will not be shown in the graphical selector

Views

Summary

Displays Runtime Information;

Workflows

• MOE 02 - Fragment Based DesignKNIME Hub

Links

• No links available

Developers