chem cryst
CRYSTALS Software
University of Oxford

Obsolete versions of Crystals

• Install Crystals (DOS) under Windows95
• Install Crystals for the DOS operating system
• Install Crystals under Windows 3.1 (or similar)
• Install Crystals on an SGI
• Copyright information

Obsolete Issues

The 16bit (DOS + Memory Manager) and original 32bit (Salford Compiler) are no longer being developed. All their functionality has been incorporated into the native 32 bit version. The old versions might be suitable for running on Intel 486 based machines.

Dowload DOS 16-bit version (Crystals command-line and Cameron graphics)
Download DOS 16-bit installer.
Read the installation instructions.

Download SGI version(Crystals command-line and Cameron graphics window)
Read the installation instructions.

Installation and Setup

The obsolete versions are available by anonymous ftp from darkstar.chem.ox.ac.uk. They can be found in the directory pub/crystals

How do I install the DOS version of Crystals under Windows95?

If you wish to use the 16-bit version with DBOS memory manager, then follow the Windows 3.1 instructions. The 32-bit release has been re-organised to make installation much quicker and simpler.

These are the Windows native 32-bit release installation instructions:

1. Make a directory where you wish to install Crystals.
2. Copy the file CRZIP32.EXE to the directory.
3. Run CRZIP32.EXE -d
4. Add the following lines to the end of AUTOEXEC.BAT, substituting the directory you have installed in for C:\BETACRYS\

         PATH=C:\BETACRYS\;%PATH%
         SET CRYSDIR=C:\BETACRYS\
      

   Add the following line to the end of CONFIG.SYS, to enable ANSI colour control when running Crystals:

         device=c:\windows\commmand\ansi.sys /x
      

If you have used Crystals before watch out for some major changes in the latest version of the program.

How do I install Crystals under the DOS operating system?

The DOS code uses the DBOS memory manger.

Installation

C:> md crystemp

C:> cd crystemp

C:\CRYSTEMP> copy C:\wherever\the\files\are\FTP* .

C:\CRYSTEMP> ftpinst  c:\crystemp  c:

This will install from c:\crystemp to the c: drive.
Three important directories will be created on the drive you specify:
\CRYSTALS contains the majority of the CRYSTALS software.
\CAMERON contains the graphics package CAMERON.
\DBOS.DIR contains the salford memory manager used by CRYSTALS.

set crdrive=c:

set crroot=\crystals

set crdbos=false

set path=%path%;%crdrive%%crroot%;c:\DBOS.dir;

set crdbos=false

buffers=30

files=100

device=c:\dos\ansi.sys /x

SHELL=c:\dos\COMMAND.COM /P /E:2048

How do I install Crystals under Windows3.1?

CRYSTALS-PC is the mainframe and Work-station version of CRYSTALS ported to machines running DOS on Intel 386, 486 or Pentium processors. The crystallographic facilities are identical with (or superior to) those available on mainframes. Hardware requirements are a VGA screen, 20 Mb hard disk, 8 Mb ram and a 386/387, 486DX or Pentium processor.
The Windows 3.1 code uses the DBOS memory manger.

Installation

1. Create an empty temporary directory on a hard disk, eg C:\CRYSTEMP.

   C:> md crystemp

2. Change to this directory and put FTPZIP.EXE & FTPINST.BAT into this directory.

         C:> cd crystemp
         C:\CRYSTEMP> copy C:\wherever\the\files\are\FTP* .
        

3. To install CRYSTALS:

   C:\CRYSTEMP> ftpinst  c:\crystemp  c:

   This will install from c:\crystemp to the c: drive.
   Three important directories will be created on the drive you specify:
   \CRYSTALS contains the majority of the CRYSTALS software.
   \CAMERON contains the graphics package CAMERON.
   \DBOS.DIR contains the salford memory manager used by CRYSTALS.
   
4. Add the following lines to the end of AUTOEXEC.BAT
   

         set crdrive=c:
         set crroot=\crystals
         set crdbos=false
         set path=%path%;%crdrive%%crroot%;c:\DBOS.dir;
         set crdbos=false

5. Make sure the following line is in your CONFIG.SYS
   

         buffers=30
         files=100
         device=c:\dos\ansi.sys /x
         SHELL=c:\dos\COMMAND.COM /P /E:2048

   If buffers or files already have higher values, leave them as they are.
   Ansi.sys is required for colour output from Crystals.
   The shell line specifies an environment size of 2048 bytes. If you ever see the message 'Out of environment space' when starting Crystals, then you should increase this value to 4096.

6. Add the following lines to the [386enh] section of C:\WINDOWS\SYSTEM.INI
   

   device=c:\dbos.dir\wdbos.386

How do I install Crystals on an SGI?

CRYSTALS (Silicon Graphics version) May 1996

This version of CRYSTALS was built from the Issue 10 source code for the VAX and PC. To install do the following :

1. The unpacking of the tar file should create the correct directory structure.
   Source code distributions only :
   To compile the source code, go into the src/ directory and type 'make'. This will instruct you as to the command required to compile the source code for your system.
2. Edit the shell script 'crystals.sh' so that CRYSTALSDIR enviromental variable points to the directory beneath which all the crystals files have been installed.
3. If you are performing a cross-architecture installation, compile the source code for each type of MIPS chip and rename the crystals executable to reflect this. The crystals executables should be placed in the $CRIMAGES directory. Edit lower portion of the shell script to allow execution of the appropriate file.
4. SGI executable versions of shelxs and sir88 are provided. Sir92 is available for Silicon Graphics, but is distributed by Carmelo Giacovazzo.
5. Run the 'define' program on COMMANDS.SRC file to produce commands.dsc . Place this file in the src directory.
6. To use CAMERON, of which there exists an experimental X version, type '\script plot' or use one of the other scripts which calls for graphics (these are edlist5, fguide, and inemap).

Problems with / suggestions about CAMERON should be addressed to: [email protected]
NJH
05/96

Compilation notes :

1. Irix 6.1

   Need to specify -backslash command in all source code files aside from xwind.c to allow backslash commands to be parsed correctly. The return value of "tty -s" seems to be spurious compared to the 32-bit versions. This may be due to an INTEGER*4/*8 problem with the return value of the SYSTEM() call. Note the 64-bit library specifications for the linking phase. _s extensions to the lib names have been removed.

2. Irix 5.3 (all architectures)

   Cannot use -sopt flag on fourier.f otherwise the Fourier map calculation routine fails. Specific line added to Makefile to get round this. Interestingly no such problem occurs for Irix 6.1. Should be interesting to see how all multiplatform release of Irix (6.2) copes with this problem.

3. xwind.c

   Lots of prototype warnings during compilation regarding the data type for the callback functions. Not sure why this occurs but doesn't appear to have any dire consequences.