label

Turn on or off labels for the four categories: atoms, bonds, angles, or dihedral angles; create and destroy simulated springs. Once a label is created (given the list of associated atoms) it can be turned on or off until it is deleted. Also, the value of the label over the trajectory can be saved to a file and viewed with an external program such as xmgrace. In the following, category implies one of [Atoms|Bonds|Angles|Dihedrals].

• list: Return a list of available categories.
• list category: List all labels in the given category.
• add category molID1/atomID1 [ molID2/atomID2... ]: Add a label involving the atom(s) atomID of the molecule molID to the given category.
• show category < all | label_number >: Turn on labels in the given category.
• hide category < all | label_number >: Turn off labels in the given category.
• delete category < all |label_number>: Delete labels in the given category.
• graph category label_number [filename]: Retrieve the values of the labels for all timesteps. If the optional filename is given, the data will be written to that file; otherwise it will be returned as a list. You can use the Tcl exec command to launch an external graphing program to plot the data if you wish.
• addspring molID1 atomID1 atomID2 k: Add a spring connecting the atom(s) atomID and atomID2 of the molecule molID. The spring will have spring constant k.
• textsize [newsize]: Get/set the text size for all labels, which is 1.0 by default. newsize should be a decimal value greater than zero.