Register and download the ARCIMBOLDO_LITE binary.
PHASER and SHELXE have to be available on the machine running ARCIMBOLDO. These programs have separate licenses and need to be obtained from their developers if not already installed:
In addition, Python 2.6 or higher must be installed.
Once these requirements are fulfilled, you will need:
The following is an example of a .bor configuration file
[CONNECTION]: distribute_computing: multiprocessing #NOTE: You need to configure the following parameter #only if you are using the mode local_grid or remote_grid #setup_bor_path: /path/to/setup.bor [GENERAL]: working_directory= /path/to/workdir mtz_path: %(working_directory)s/data.mtz hkl_path: %(working_directory)s/data.hkl [ARCIMBOLDO] name_job: example molecular_weight: f_label: F sigf_label: SIGF number_of_component: 1 fragment_to_search: 2 helix_length: 14 [LOCAL] path_local_phaser: /path/to/local/phaser path_local_shelxe: /path/to/local/phenix
This section defines the connection to remote or local grids if needed. Default in ARCIMBOLDO_LITE is multiprocessing on a single machine. The setup.bor file path is only required if a grid is used (further information).
This section defines paths to the working directory and data files.
This section declares the ARCIMBOLDO_LITE search parameters. For a full list of possible parameters, run ARCIMBOLDO_LITE with -b option
This section contains the absolute paths to the PHASER and SHELXE executables required for single machine use.
ARCIMBOLDO_LITE input.bor >& log &
On the working directory, there is an .html file with an echo of the input parameters, a table with the results and map and trace files from the best solution produced, if possibly solved (CC>25 %).