next, previous Section / Table of Contents / Index The main option menu provides basic control in an interactive BALSAC/CLUSTER session. After each operation (except for structure file input [I], transfer to BALSAC/LATTICE [L], or finishing [,]) BALSAC/CLUSTER returns to this menu and requests input for the next interactive option. The menu has the general form ========== BALSAC/CLUSTER MENU ============================================== [T]itle = cluster title file = {inputfilename} [S]tructure = nctv ( nct ) atoms in lx ly lz [R]ad/nuc = nel elements [V]iew = tt pp; rot= rr; mag= fm; per= fp; foc= nf [G]raphics = gm/gd; colr= nb/ np pl; lout= xxl; cnct= nnc; shft= sx sy [X]plot [A]nl [I]nput [O]utput stac[K] [N]ew >[L]at [P]arm [?]Help [,]Quit ======================================================================= 5 == showing the most important structure and viewing parameters. In this menu the line starting with "[T]itle ..." gives the structure title "cluster title". " file = " gives the name of the latest input file (enclosed by "{...}") read by balsac or shows "{}" if no input file has been used so far. "[S]tructure..." shows the total number of atoms, nct, defined for the cluster while nctv gives the number of atoms which are visible at present and will be stored on structure output files, see Sec. 6.3.6. Further, this line lists the size of the rectangular block (lengths lx x ly x lz) enclosing the cluster. "[R]ad/nuc ..." lists the number of different elements,nel, contained in the cluster. "[V]iew ..." defines the viewing geometry used in plots. Here tt, pp, rr give the viewing angles theta, phi and the rotation angle rr while the plot magnification is given by fm. The perspective geometry is defined using a distance factor fp where fp = 0 means parallel projection and fp > 0 central projection. Parameter nf refers to the focus used in central projection, see Secs. 6.3.4, 5.1. For nf = 0 the focus coincides with the section center (default focus), = -1 the focus is given in absolute cartesian coordinates, > 0 the focus coincides with the center of atom nf. "[G]raphics ..." shows the basic graphics parameters used in plots, see Secs. 6.2.7, 6.3.5. Parameter gm reads "A" defining atom-by-atom display mode which is the only display mode available with BALSAC/CLUSTER. Parameter gd defines the graphical representation of atoms in plots with gd = "Nx" for no plotting/listing (for testing only), = "Lx" for coordinate listing, = "Px" for atoms shown as points, = "Cx" for atoms shown as circles, = "Ax" for atoms shown as filled circles (areas), = "Rx" for atoms shown as red/blue stereo circles, = "Hx" for atoms shown as hard-shaded balls, = "Fx" for atoms shown as fuzzy-shaded balls, = "Dx" for atoms shown as dither-shaded balls, = "Gx" for atoms shown as glossy-shaded balls. The lower case character in gd refers to stereo duplication in plots where x = "m" for mono views with one picture on the screen, = "s" for stereo views showing two slightly different pictures of the structure on the screen, see Secs. 6.2.7, 6.3.5. Parameter nb denotes the color index of the color used to paint the background in plots while np gives the starting value of the color palette used to paint atoms. Parameter pl refers to labelling of atoms where pl = "E-" defines no labelling, = "EE" defines labelling by element name, = "EN" defines labelling by atom number. Parameter xxl refers to the plot layout and reads "off" or any combination of the four characters "T", "B", "F", "-" where "T" shows if a title line is included, "B" shows if hidden atoms are sketched (by white circles), "F" shows if the cluster is enclosed by a rectangular wire frame, "-" is used only as a filling character. Parameter nnc gives the number of constraints used to define links between atoms (selecting pairs of atoms to be connected by straight lines or cylindrical sticks visualizing bonds, see Secs. 6.2.7, 6.3.5. The shift quantities sx, sy (given in pixel units) define a shift of the plot origin with respect to the default origin (center of screen), see Sec. 6.2.7, 6.3.5. "[X]plot ... " at the bottom of the menu lists various options available with the menu. The end of this line reads " ... [?]Help [?,]Quit" if the on-line help is available inside BALSAC (default), see Sec. 3.3.3, " ... [,]esc" if the on-line help is NOT available inside BALSAC, " ... (teach) [%,]Quit" if BALSAC is in teach mode, see Sec. 3.3.9. From the main option menu of BALSAC/CLUSTER the user selects an option by pressing any of the character keys shown in square brackets "[]" (lower and upper case input is accepted) or using the mouse, see Secs. 5.5, 3.3.8. Then BALSAC * moves to the appropriate submenu (options [T], [S], [R], [V], [G], [A], [O], [K], [P]), * generates a plot or coordinate listing (option [X]), * starts the CLUSTER session from scratch deleting all present structure data (option [N], to be confirmed), * restarts the CLUSTER session with a structure input file (option [I], file name prompted), * moves to a BALSAC/LATTICE session with/without the present structure being transferred (option [L], to be confirmed), or * quits the BALSAC session (option [,], to be confirmed). There is one hidden option, [E], in the main option menu which restarts the CLUSTER session with the quicksave file 'balsac.plt' for structure input (to be confirmed). This is equivalent to option [I] answering the file prompt with "balsac.plt". If BALSAC/LATTICE is started from scratch in interactive mode all parameters of options [S], [V], [G] have to be defined before the main option menu shows. next, previous Section / Table of Contents / Index