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.
Element
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.
Number
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.
Label
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.
Table
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.