Register and download ARCIMBOLDO_LITE.
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 %).