Atom Modify

Change here the element and label for a single atom or a list of atoms.

To modify an atom, click over its graphic image, or write its identification (name and number) on the Atom entry. To modify a list of atoms, press the button List (after creating the list of atoms with Atom->Select). Parameters for empty entries or Local choices remain unchanged.

To change an atom name write the new name in the Atom entry, followed by the atom number (GAMGI needs the number to identify the atom). To change the name for a list of atoms, press List first and then write the new common name in the Name entry.


Change here the element name, which can be Si but not si, S i or SI. When a valid name is entered, the element number is automatically set and default values are suggested for the atom name, label, mass, radius and color. Choosing a new element automatically changes these values to the new element. Selecting non-default values for these parameters should therefore be done only after setting the element.


Change here the element number, which can vary between 0 (Du, a dummy atom) and 111 (Rg, currently the last element with a two-letter symbol). When a valid number is entered, the element name is automatically set and default values are suggested for the atom name, label, mass, radius and color, as described above.


Change here the atom label, commonly used in Molecular Mechanics to distinguish atoms described by different inter-atomic potentials. For example, methyl and hydroxyl hydrogen atoms in methanol molecules might be described by "h3" and "ho" atom labels. Atom labels can have a maximum of 10 characters, accepted characters are the same as for atom names.


Pressing Table pops up a second window, showing a Periodic Table of the Elements, with a button for each element. When an element button is clicked, default data is transported to the first window, exactly as if the user had written the element name in the Name entry or the element number in the Number entry.

Pressing Table again (or clicking Cancel in the second window, or using the Window Manager tools) closes the second window.