chem cryst CRYSTALS Software University of Oxford
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Obsolete versions of Crystals
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
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:
- Make a directory where you wish to install Crystals.
- Copy the file
CRZIP32.EXE to the directory.
- Run CRZIP32.EXE -d
- 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.
The DOS code uses the DBOS memory manger.
Installation
IMPORTANT: Any previous version of Crystals, or any files in a directory
called CRYSTALS will be deleted.
C:> md crystemp
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Create an empty temporary directory on a hard disk, eg C:\CRYSTEMP.
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C:> cd crystemp
C:\CRYSTEMP> copy C:\wherever\the\files\are\FTP* .
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Change to this directory and put FTPZIP.EXE & FTPINST.BAT into this directory.
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C:\CRYSTEMP> ftpinst c:\crystemp c:
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To install CRYSTALS.
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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
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Add the following lines to the end of AUTOEXEC.BAT
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buffers=30
files=100
device=c:\dos\ansi.sys /x
SHELL=c:\dos\COMMAND.COM /P /E:2048
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Make sure the following line is in your CONFIG.SYS
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, say, 4096.
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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
IMPORTANT: Any previous version of Crystals, or any files in a directory
called CRYSTALS will be deleted.
- Create an empty temporary directory on a hard disk, eg C:\CRYSTEMP.
C:> md crystemp
- 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* .
- 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.
- 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
- 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.
- Add the following lines to the [386enh] section of C:\WINDOWS\SYSTEM.INI
device=c:\dbos.dir\wdbos.386
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 :
- 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.
- Edit the shell script 'crystals.sh' so that CRYSTALSDIR enviromental
variable points to the directory beneath which all the crystals files
have been installed.
- 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.
- SGI executable versions of shelxs and sir88 are provided. Sir92 is
available for Silicon Graphics, but is distributed by Carmelo Giacovazzo.
- Run the 'define' program on COMMANDS.SRC file to produce
commands.dsc . Place this file in the src directory.
- 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:
david.watkin@oxford.ac.uk
NJH
05/96
Compilation notes :
- 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.
- 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.
- 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.
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