These instructions are also available as a PDF document.
Installation of the HKL-3000 software is now guided by an installation program. The HKL-3000 installer can be obtained from the HKL Research, Inc. FTP server. The password can be obtained through the Automatic Password System (established users only) or via e-mail firstname.lastname@example.org.
To download the HKL-3000 from the server hkl-xray.com, you may use sftp. From a terminal, use command:
You may also use a web browser by clicking the link below and logging in as user hkl3000ftp:
The installer is provided as a compressed file, and the name of the file indicates for which system the installer will work. Currently, there are two versions available, and the installation process is essentially the same both.
You may download and unpack the installer anywhere on your system. The installer will guide you through the installation process, including specifying where the program should be installed. You will need root permission to install HKL-3000 in the default location, but you may install HKL-3000 in any directory.
After downloading the appropriate file, uncompress the file using your preferred method. For example, on most Linux systems you can use the graphical interface (right-click and select Extract Here) or the command line (tar zxfv HKL3000_installer_filename.tar.gz).
Extracting the compressed file will create a folder that contains the installer, README.txt, access_prod, and a folder named “setup_files”. Access_prod is a program that gathers information necessary to obtain a license key for HKL. If you need to obtain a license key, run access_prod and email the results to email@example.com. A more detailed explanation is available on the HKL Research website (www.hkl-xray.com/license-key).
The installer can be started by double clicking on the installer icon or using the command line. If you plan to install the program in the standard locations, you will have to start the program with sudo privileges (sudo ./HKL_installer). CCP4 and SHELX should be installed before you start. The installer will first verify that your license key is valid. The traditional location of the license key file (cr_info) is in /usr/local/lib. The text area at the bottom will provide details about your license.
The buttons at the bottom of the installer let you select which HKL version you would like to install. HKL-3000sm is for small molecules. HKL-3000 extends the capabilities of HKL-2000 by providing an interface for structure solution and refinement. HKL-3000 requires several external programs, as outlined in the README file. Click “Continue” to see version specific license. You must accept the license to proceed.
The following screen will let you select if you want to create a new HKL installation or upgrade an existing installation. If you have selected either HKL-3000sm or HKL-3000, you will be presented with a dialog requesting the location of the external programs used by HKL-3000. The installer may be able to determine the location of some of these based on your environmental variables. If you still need to select some programs, the installer can search for the files for you. Use the “Select” button at the bottom of the dialog to select a parent directory that contains one or more of the necessary programs. In the example shown below, all of the files not defined by system variable were found using the parent directory “/usr/local/xtalprogs”.
The next dialog allows you to specify the location of the program and the detector definition directory. The default locations for these are /usr/local/HKL and /usr/local/hklint. You may change these if you want to use another directory or do not have write permission for these directories. The default folder for HKL will include the version number. The example shown below uses non-standard locations that would not require root privileges.
The installer will then check if you have permission to write to these directories and run checks to see if the external programs are installed correctly. If everything looks good, click “Install” to finish the setup.
If you let the installer create an icon, you can now use it to launch HKL-3000.