Sources

The CcpNmr Analysis 1.0 release includes all source code required, including third-party code. This code must be compiled (we tried releasing a Linux binary distribution and there were too many troubles with incompatible libraries). This code should all hopefully compile fairly easily on Unix platforms but we do not yet have a working Windows version.

Third party modules

The third-party applications required are Python 2.2, Tcl/Tk 8.3 and OpenGL including glut (e.g. Mesa 6.0). Users who want to use their own copies of this code can do so. Analysis will not work with Python < 2.2 and seems to work with Python 2.3. Analysis might work with other Tcl/Tk 8.x distributions (we have not tested this).

Environment Variables

In order to make things easy, please set the CCPNMR_TOP_DIR environment variable before proceeding (for example, in .cshrc). CCPNMR_TOP_DIR should be set to the ccpnmr directory created by the unpacking of the tar file

For example, in .cshrc you could place:

setenv CCPNMR_TOP_DIR directory_where_you_unpacked_release/ccpnmr

To get compilation of Python to work with the distributed versions of Tcl/Tk you might need to set the following environment variables first:

setenv LD_LIBRARY_PATH ${CCPNMR_TOP_DIR}/tcl8.3/lib:${CCPNMR_TOP_DIR}/tk8.3/lib

where CCPNMR_TOP_DIR is is the ccpnmr directory created by the unpacking of the tar file (as hopefully set following the instructions above).

Install Script

To install the code go into the ccpnmr directory (the top-level directory of the distribution) and run the installCode.py script:

prompt> python installCode.py analysis

This assumes that your computer has a working version of Python (any version ≥ 1.5 should work), which is normally the case. The script will ask whether you want to compile Tcl, Tk, Python, Mesa and Analysis, in that order. If you have your own versions of the third-party code then you do not need to use ours. (Tcl/Tk is often ready-installed on Linux systems, look for /usr/lib/tcl8.x and /usr/lib/tk8.x.) If you are using your own versions the script will ask where these versions are located. It will then create a "bin" directory. Finally, it will ask whether you want to test the Analysis program by starting it up. This is recommended since it will check whether the installation has been successful. It will take a few seconds because all of the Python code will have to be compiled (this happens automatically).

Note: the Analysis C compilation set up in the installation script will work best on Linux platforms. There are some notes in ccpnmr1.0/c/environment_default.txt about other platforms, and you will have to read the detailed notes in the interlude below about compiling Analysis.