******************* * Jana2000 * * testing version * ******************* Crystallographic Computing System for Ordinary and Modulated Structures JANA2000 is a free software accessible by anonymous ftp from the server ftp.fzu.cz, directory pub/cryst/beta2000 or from ftp.unige.ch, directory pub/soft/crystal/jana/beta2000. The following files are available: README.TXT this downloading and installation notes beta2000.tar.Z the UNIX version compressed by compress beta2000.tar.gz the UNIX version compressed by gzip beta2000Pack.exe the UNIX self-extracting archive janainst.exe the PC self-extracting archive manual the directory containing manual files Jana2000 is a testing version. We would like to fix as many bugs as possible and know about your comments and suggestions. We expect frequent changes of Jana2000 and we don't recommend its installa- tion to people expecting stable environment. On the other hand Jana2000 contains a lot of improvements, which are not in Jana98. The development of JANA98 is finished but we will still continue with patches for JANA98. The current version of Jana2000 is basic platform for a lot of new features, which will come during next year. Jana2000 will replace Jana98 at the end of year 2000. Communication with beta testers: if you want to be notified about current changes in the testing version of Jana2000 please reply this letter with SUBSCRIBEBETA2000 in the subject line. Alternatively, you can change your "Information level" in the registration form http://www-xray.fzu.cz/jana/Jana98/J98_main.html#register . Without this you will get only information about the most important changes of the beta version. ****************************** * An example of ftp commands * ****************************** 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 the compressed archive (for UNIX workstation in this example) quit Exits ftp The program has been tested on several computer platforms (Sun, DEC, HP, IBM and Silicon UNIX workstations and PC with Windows95/98. It is distributed in the form of the source files for UNIX workstations and as executables for PC. *************************************************** * Installing of the JANA2000 on UNIX Workstations * *************************************************** The package is distributed as source files. You need FORTRAN and C compiler and X11 graphics library to install the software. *** Installing Jana2000 from self-extracting archive beta2000Pack.exe: If you work under csh or tcsh start the installation by command source beta2000Pack.exe If you work with other shell you need to start csh as the installation script is written in C-shell. It can be done by several ways: 1. csh source beta2000Pack.exe exit 2. csh -c "source beta2000Pack.exe" 3. csh -t source beta2000Pack.exe The installation procedure first extracts the gzipped archive from beta2000Pack and then it does the same work as described in the step by step instructions below. *** Installing Jana2000 from gzipped archive beta2000.tar.gz: *** Step by step instructions: gunzip beta2000.tar Replaces compressed file beta2000.tar.gz with the uncompressed beta2000.tar. In the case of beta2000.tar.Z the equivalent work is done by command "uncompress". tar xf beta2000.tar Extracts all files from the archive beta2000.tar to the directory beta2000. The files of the same name will be overwritten without any warning. The tar creates the following directory structure: beta2000 -> source -> fg -> data -> test The directory beta2000 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 the directory test. cd beta2000 Changes directory to beta2000. edit Makefile You need to edit the Makefile before the compilation. Find editable section corresponding to your computer and remove "#" from the first column. make Executes the list of commands from the Makefile. Builds the libraries and compiles all programs of the package. 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 the *.fnt files, which are outline fonts necessary for the run of JANA2000. cd test Go to the directory containing the testing examples. ../jana2000 testa Runs the testing example 1 ../jana2000 testb ../jana2000 testc ../jana2000 testm *** The environmental variable BETADIR: The executable jana2000 can be moved elsewhere under the condition that the directory beta2000 with all its contents remains in the original location. If beta2000 is moved the pathname should be written in the environmental variable BETADIR. ************************************************* * Installing of JANA2000 on PC with Windows95/98* ************************************************* The package is distributed as executables built by Lahey FORTRAN compiler. The minimal required memory is 32 MB. *** Step by step instructions: 1. Make new directory for JANA2000 ("betadir"). The recommended name is c:\jana2000 or c:\bate2000 2. Copy the installation file janainst.exe into "betadir" 3. Run janainst.exe in the "betadir" 4. Add the following line into your autoexec.bat : SET BETADIR="betadir" 5. Add "betadir" into the path command in your autoexec.bat. 6. Restart PC 7. Change directory to "betadir"\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 the 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 200 maximal number of atoms MXM 5 maximal number of molecules MXP 15 maximal number of the positions of single molecule MXW 32 maximal number of modulation waves MXREF 250000 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 1500 maximal number of the refined parameters ***************************************** * Printing and Updating JANA2000 Manual * ***************************************** **** Manual for jana2000 is not yet available **** ********* * Notes * ********* - Sun f77 compiler "SC4.0 18 Oct 1995 FORTRAN 77 4.0" contains a bug, which may cause problems when working with user forms. Jana crashes with "segmentation violation" or similar message. Please upgrade to version 4.2 or higher.