3.3.5. PRODUCING AN OUTPUT FILE

next, previous Section / Table of Contents / Index After you have built a lattice section or a cluster with BALSAC you can store all structure and graphics information in external files. These files are created by the same procedures during a LATTICE or a CLUSTER session. Only the available file formats are different as you will see below. Using external structure files saves retyping the structure data when you restart BALSAC to examine a previously created structure. External files are also necessary for producing PostScript print output, see below. You select the output file option from the main option menu by [O] after which the option line ========== FILE STORE OPTIONS ============================================ Latest input = {} [F]ilesave [Q]uicksave [B]asis(abs) [I]nit(off) [L]ogo(on ) [?,]esc ========================================================================== allows you to select between saving in a file of given name (which will be prompted) or "quicksaving". (Forget all the other menu options for now.) For example, if you want to store the structure data on a file named file.out you type [F] and answer the name prompt Output file name ("-"=esc): by "file.out". Now the program creates a file named file.out which is confirmed in the following menu and you have to select between the different output file formats which read for a LATTICE session =========================================================================== Open: file.out Format: [L]at [E]xtlat [P]lt [S]ar sch[K]l [D]pdb [F]xyz [G]ps [C]olps [W]sc [B]z {[R]bin} [I]nit(fin) l[O]go(flg) [?,]esc =========================================================================== and for a CLUSTER session =========================================================================== Open: file.out Format: [P]lt [L]at sch[K]l [D]pdb [F]xyz [G]ps [C]olps {[R]bin} [I]nit(off) l[O]go(on ) [?,]esc =========================================================================== The different file formats allow you to interface with separate visualization software such as SARCH, LATUSE, PLOT3D, SCHAKAL, Xmol, Ralmol, WebLab Viewer, and with PostScript printers as described in detail in Secs. 6.2.8, 6.3.6. However, BALSAC accepts for input only files of (extended) LATUSE (LATTICE sessions) or PLOT3D (CLUSTER sessions) format. Thus, if you want to use the file as input to a LATTICE session you select LATUSE format typing [L] and for a subsequent CLUSTER session you select PLOT3D format typing [P]. Now all parameters necessary for use in a future BALSAC session are written on file "file.out" after which the file is closed and BALSAC returns to the respective main option menu. There is a quick way ("quicksaving") to store structural information in a file which uses default backup files named 'balsac.lat' (LATTICE session) or 'balsac.plt' (CLUSTER session). You have used this feature already in Sec. 3.3.4. If you press [Q] in the above file option menu then the backup file is opened and all structure and graphics parameters of the session are saved. This fast backup option saves some typing but is restricted to output on files named 'balsac.lat' or 'balsac.plt' and these files will be overwritten each time you press [Q]. The above file format choices come with an initialization flag which can be turned on or off by pressing [I] in the above menu. Here the present flag setting is show in parentheses after the option, e.g. " [I]nit( on) ". With the initialization flag set to "on" all PLOT3D or LATUSE format file output will also include additional initialization data such as color tables and adapter/window parameters which are specific to the present session. This allows you to save color assignments for later use. You can produce a high quality print of the lattice section or cluster created with BALSAC using a gray scale or color PostScript laser printer. To do this you simply store the plot information on a PostScript file analogous to the procedure described above - enter output file option menu, [O] - open a file, [F] - select gray scale or color PostScript output format, [G] or [C] - possibly set number of gray/color tones for shading and send it to the PostScript printer (outside the BALSAC session; this may require a special procedure depending on your local computer setup). Note that for optimal PostScript output the gray scales corresponding to colors on the screen have to be adjusted. This may need some experimenting as explained in detail in Secs. 4.3.1, 5.4. BALSAC PostScript files are well structured ASCII files which can be easily modified with some basic knowledge of the PostScript programming language to yield even more sophisticated printouts, see Sec. 6.4.6.1. next, previous Section / Table of Contents / Index