******************* * Jana2000 * ******************* Crystallographic Computing System for Ordinary and Modulated Structures JANA2000 is a free software accessible by anonymous ftp from ftp.fzu.cz, directory pub/cryst/jana2000. The following files are available: README.TXT this downloading and installation notes jana2000.tar.Z the UNIX version compressed by compress jana2000.tar.gz the UNIX version compressed by gzip jana2000Pack.exe the UNIX self-extracting archive janainst.exe the PC self-extracting archive manual98.pdf the manual of Jana98 in PDF format ************************************* * ftp commands for command-line ftp * ************************************* ftp ftp.fzu.cz Connects to ftp.fzu.cz cd pub/cryst/jana2000 Changes remote directory to jana2000 binary Sets binary transfer get jana2000.tar.Z Copies a file to the local machine quit Exits ftp The program has been tested on several computer platforms (Sun, DEC, HP, IBM and Silicon UNIX workstations and PC with WindowsNT/9x/2000/XP. It is distributed as a source code for UNIX workstations and as a compiled program for PC. ************************************************* * Installation of JANA2000 on UNIX Workstations * ************************************************* The package is distributed as a source code. FORTRAN and C compiler and X11 graphics library are necessary for installation. *** Installing Jana2000 from self-extracting archive jana2000Pack.exe: *** This is recommended. If you work under csh or tcsh start the installation by command source jana2000Pack.exe If you work with other shell you need first to start csh or tcsh. It can be done by several ways: 1. csh source jana2000Pack.exe exit 2. csh -c "source jana2000Pack.exe" 3. csh -t source jana2000Pack.exe The installation procedure extracts the gzipped archive from jana2000Pack.exe, detects the operating system and edits Makefile accordingly, runs a testing compilation and if it is successful starts compilation of Jana2000. *** Installing Jana2000 from gzipped archive jana2000.tar.gz: *** Step by step instructions: gunzip jana2000.tar Replaces compressed file jana2000.tar.gz with the uncompressed jana2000.tar. In the case of jana2000.tar.Z the equivalent work is done by command "uncompress". tar xf jana2000.tar Extracts all files from the archive jana2000.tar to the directory jana2000. The files of the same name will be overwritten without any warning. The tar creates the following directory structure: jana2000 -> source -> fg -> data -> test The directory jana2000 contains Makefile - the description file for the compilation tool `make'. The directories `source' and `fg' contain source files. The directory data contains the cif directory, program icons etc. The testing examples are in directory test. cd jana2000 Changes directory to jana2000. edit Makefile Makefile must be edited before the compilation according to the operating system by removing "#" from the editable section corresponding to your computer. make Compiles the program according to commands in Makefile. make clean_up Removes object files, libraries and temporary files which are not necessary for using of jana2000. The source files in directory source and source/fg can also be deleted except *.fnt. cd test Goes to the directory containing the testing examples. ../jana2000 testa Runs the testing examples ../jana2000 testb ../jana2000 testc ../jana2000 testm *** The environmental variable JANADIR: The compiled jana2000 can be moved elsewhere under the condition that the directory jana2000 with all its contents remains in the original location. If jana2000 is moved, too, the new pathname must be written in the environmental variable JANADIR. *********************************************** * Installation of JANA2000 on PC with Windows * *********************************************** The package is distributed as a self extracting Rar archive containing the compiled program built by Lahey FORTRAN compiler and other necessary files. 64 MB is minimal memory requirement for running Jana2000. With less memory the performance may degrade significantly. *** Step by step instructions: 1. Make new directory for JANA2000 ("janadir"). 2. Execute janainst.exe and choose "janadir" as a target directory. If old installation of Jana2000 already exists choose to replace all files (Yes to all). 3. Under windows95/98 make the following changes of autoexec.bat: - add line SET janaDIR="janadir" - add "janadir" into the path command and restart the computer 4. Under windowsNT/2000/XP: - define (user or system) environment variable JANADIR="janadir". - add "janadir" to the PATH environment variable - set permissions for files in janadir to Everyone (detailed description of these steps is available at http://www-xray.fzu.cz/jana/Jana2000/environ.html ) - make sure you don't use the "Clear type" method for smoothing of screen fonts. This option is accessible through Display Properties -> Appearance -> Effects 7. Change directory to "janadir"\test 8. Run testing examples: jana2000 testa jana2000 testb jana2000 testc jana2000 testm ***************************** * The Adjustable Parameters * ***************************** In JANA2000 there are limits for number of atoms, molecules etc. In case of UNIX installation the user can control some of them by changing the corresponding parameter statement in the source code and recompiling the program. PC users are encouraged to ask the authors for compiled version with changed parameters if it is necessary. The following table lists the adjustable parameters of JANA2000. All the parameters are defined in the file params.cmn. Name initial purpose value ------------------------------------------------------------------------ MXA 500 maximal number of atoms MXM 10 maximal number of molecules MXP 15 maximal number of the positions of single molecule MXW 32 maximal number of modulation waves MXREF 400000 maximal number of the reflections for the refinement MXE 500 maximal number of equations in the m50 MXEP 100 maximal number of the parameters in single equation MXPARRF 2000 maximal number of the refined parameters ********* * Notes * ********* Problems found in UNIX installation are listed in Jana WWW page http://www-xray.fzu.cz/jana/jana.html .