1.4. HISTORY OF FEATURES AND IMPROVEMENTS

next, previous Section / Table of Contents / Index Version 1.1: - first official release Version 2.0: - The (re)start of BALSAC/LATTICE sessions from scratch is made simpler using more default parameter values and less numerical output at startup. - The LATTICE session now includes all 14 elementary Bravais lattices as defaults. - In BALSAC/LATTICE sessions lattice sections may be built by stacking complete elementary cells in addition to layer-by-layer and atom-by-atom building mode. - Some option keys have been given different names for improved mnemonic value. - The transfer between LATTICE and CLUSTER sessions is made faster and more convenient. - An extended mouse menu feature makes selecting options easier (DOS and Unix versions) including the new menu window option (Unix/X.11 version). - File names used for in/output can be given up to 72 characters (formerly only a maximum of 20 characters was allowed). Some file input is made simpler by default names (balsac2.ini, balsac2.hlp, balsac.lat, balsac.plt). - A new safety backup feature saves all structure/graphics information on an external file automatically whenever a BALSAC session is finished. This allows a complete recovery of a previously finished session. - Groups of atoms can be saved/moved onto an external PLOT3D format file (BALSAC/CLUSTER sessions). - Text fonts used for graphics output are read from the initialization file (Unix/X.11 version). They can also be redefined interactively. - A new internal display geometry model allows you to reset the view focus with the viewer positioned even inside a structure. - The interactive graphic analysis option has been completely revised. This includes new features such as - Atoms used in the graphical analysis are now marked visually. - Wigner-Seitz cells and Brillouin zones can be displayed (also available as PostScript output files). - Basis vectors of reconstructed layers (2-dim. periodicities) can be displayed in addition to 3-dimensional bulk lattice periodicities. - Atoms can be hidden/unhidden interactively. - Fast assignment of colors to atoms, bonds, and background is possible. - The view focus can be readjusted interactively for improved perspective. - Any 2-dimensional lines may be drawn/erased on the screen for marking. The lines are included as arrows in PostScript output files. - The PostScript output interface has been completely rewritten for better performance and flexibility. This includes features such as - Improvements of the ASCII file structure towards better readability for easy editing to further modify/embellish BALSAC graphics output. This manual includes a tutorial telling you how to make changes in the PostScript files with the help of a text editor. - Arrow definitions are complemented by double-headed arrows and arrow pairs with/without outlining. - Background color definitions are included. - Titles and labels can include super/subscripts and mathematical ot greek symbols. - Atoms are internally numbered in the file for better identification. - A full multi-user installation procedure including man(ual) files and run-time shell scripts has been added. This includes makefiles for various workstation types (Unix/X.11 version). - The performance of the X.11 Windows graphics output has been further optimized in speed and memory requirements. The interfacing has become more robust allowing for different X.11 window managers. Terminal information has been added to the logon screens (Unix/X.11 version). - The menu and on-line help text has been completely rewritten to achieve better understanding. A new teach mode using extended help text (from the default help file) greatly facilitates learning how to use BALSAC. - Symmetry constraints can be applied to complete a cluster or elementary cell of a lattice by adding symmetry equivalent atoms. - A new output file format (raw binary) allows to save screen graphics as pixel images on output files. These can be used outside BALSAC to produce image sequences for animation or fast display of fixed views. A public domain utility BIN2GIF is provided with the Unix/X.11 version of BALSAC allowing conversion of raw binary format files to GIF (graphics interchange format) type files. Version 2.11, 2.12, 2.16: - Further new output file formats have been added to interface with existing molecular visualization and database software. This includes the XYZ (raw cartesian coordinates) format and the PDB (Brookhaven Protein Data Bank) format. - BALSAC/CLUSTER sessions can now be run in batch mode using a modified PLOT3D type file format (the new format is downwards compatible with the older PLOT3D format). - Multiple file output is now possible in batch mode of LATTICE and CLUSTER sessions. - Quasi-continuous changes of plot views (angles, size, perspective) are possible by mouse dragging inside the plot screen/window. - Bonds between atoms appearing in the PostScript output file can be more easily identified since atom numbers have been added. - Further options have been added to the graphical analysis including bonds between selected atoms and evaluation of torsion angles. - New internal definitions of some Bravais lattices. - Further improved PostScript output, including e.g. shaded background. next, previous Section / Table of Contents / Index