[LOCAL] # Third party software paths # New phaser stands for phaser 2.5.6 or higher #The following leave in blank python_local_interpreter: #The following two should be configured with the path to shelxe and phaser #every machine in the pool must be able to call the programs from these paths path_local_phaser: /path/to/phenix.phaser path_local_shelxe: /path/to/shelxe # OPTIONAL PARAMETERS #You do not have Condor so you can just leave this section as it is [CONDOR] # Parameters for each executable under Condor (memory constraints, CPU speed ...) requirements_shelxe: requirements_phaser: requirements_borges: [SGE] #The following should be the name of the queue where launch the jobs qname: queue_name #Leave this parameter to 1.00 fraction: 1.00 #You do not have Torque so you can just leave this section as it is [TORQUE] qname: #You do not have MOAB so you can just leave this section as it is [MOAB] partition: #You do not have SLURM so you can just leave this section as it is [SLURM] partition: # Supercomputing environment parameters [GRID] # BORGES parameters for "borges" database generation #Leave these defaults parameters number_of_pdbs_per_tar: 5 number_of_parallel_grid_jobs: 100 #Your local grid would be SGE type_local: SGE #You do not have a remote grid but the setup.bor so leave it in blank type_remote: #Here it goes the configuration for the connection to an eventual remote grid #If no remote grid is available you can leave all the parameters as they are. path_remote_phaser: /remote/path/to/phenix.phaser path_remote_shelxe: /remote/path/to/shelxe path_remote_borgesclient: python_remote_interpreter: remote_frontend_username: remote_frontend_host: path_remote_sgepy: home_frontend_directory: remote_frontend_port: 22 remote_fylesystem_isnfs: True remote_frontend_prompt: >