Tutorials and Examples
Automated Single Crystal Structure Solution Using Sir97
Compiling/Installing Sir97 on UNIX
The CCP14 Homepage is at http://www.ccp14.ac.uk
Sir2002 is now released and has solved structures with up to 2000 atoms in the asymmetric unit.
Refer to the main page for more information
Compiling Sir97 seems to work uncannilly well, with no compilcations (at least
on SGI IRIX 6.5.x) if you following the instructions. The following is
adequately described in the README.TXT file that comes with Sir97.
- When you receive the tar file (sir97.tar), copy this into
a directory where you would like this to be compiled and run from.
- extract the files from the tar file by using the command tar xvf sir97.tar
- Then uncompress all the resulting compressed *.Z files by typing
- Copy the SirWare.* files into your home directory (cp SirWare.* ~/)
- Compile the program by running make -f file_name where the file_name
refers to your computer/OS type refered to in the README.TXT file. i.e.,
- for SGI: make -f makefile.sgi
- for SUN: make -f makefile.sun
- for LINUX: make -f makefile.linux
(If when compiling under Redhat 6.0 Linux (or any other linux), it
fails complaining it cannot find libX11.a (as it can under
Redhat Linux 6.0), edit the make file and under WLIBS substitute the path with the following:
- for FreeBSD 3.3 UNIX when using the f2c based F77 that comes with FreeBSD:
Edit the makefile.linux file which can be adapted to FreeBSD
Under WLIBX subsitute the given line with /usr/X11R6/lib/libX11.a
Under FCOM substitute: f77
Under FOPT add: -Nx400 -Nn802
Under COPT add: -I /usr/X11R6/include
Then to compile Sir97 type make -f makefile.linux
- Run the test file (sir97 loganin) to make sure sir97 is working.
You can them create an alias for the program in your .cshrc file or
put this directory in your path so it can be called from anywhere on
- One word of minor warning, if you are using programs such are expo and sir97
together, they seem to be using the SirWare.cfg@Local in different ways.
One quick fix is to just delete the SirWare.cfg@Local before you run a
different sirware package and it will generate a new SirWare.cfg@Local file.