Listing of parameters

This causes some of the lists held by the program to be displayed for inspection. The same lists are sent automatically to the trailer output file when a PLOT instruction is executed. The ATOMS option gives a list of the input atoms together with any dummy atoms generated by a JOIN instruction. For each atom, the coordinates and atom radius are shown, together with flags to show whether the atoms are currently included and/or to be labelled. BONDS list all the (active) connections currently held with their distance and plot style parameters. LINES lists the information set up by RADII BONDS instructions. MATR gives the current orientation matrix and the three decomposition angles to reconstruct this orientation with a VIEW UNIT XROT xr YROT yr ZROT zr instruction. ARU gives the list of molecules. STATUS list various parameter settings and other relevant data. SYMM gives a list of all equivalent positions, preceded by their internal sequence number that is used in conjunction with the ARU instruction. TYPES gives a listing of all atom-type dependent setting such as radii and colours. If none of the above keywords is given, all the information is shown.

        Example:
        LIST ATOMS BONDS

LIST ATOM (atom-name/atom-type/INTER)/(RESD resdnr)

This lists atom data from the atom list for the specified atom or atom-type.

        Example:
        LIST ATOM O

LIST BOND (atom-name1/atom-type atom-name2/atom-type/INTER)/(RESD resdnr)

This lists bond data for the specified bond from the bond list.

        Example:
        LIST BOND C3 C4

LIST CELL

This displays the current cell parameters for inspection.

LIST SYMM

List symmetry operations and related data.

LIST PAR (nr1 (nr2))

Option to list an internal parameter value held in the PAR list. A range is listed when two numbers have been specified or the full list is case that none was specified. New values may be assigned with the SET PAR instruction.

        Example:
        LIST PAR 5  

LIST IPR (nr1 (nr2))

Option to list an internal parameter value held in the IPR list. A range is listed when two numbers have been specified, or the whole list is case of no range specification. New values may be assigned with the SET IPR instruction.

        Example:
        LIST IPR 3 5