[LOCAL] # Third party software paths python_local_interpreter: path_local_phaser: path_local_shelxe: # OPTIONAL PARAMETERS [CONDOR] # Parameters for each executable under Condor (memory constraints, CPU speed ...) requirements_shelxe: requirements_phaser: requirements_borges: [SGE] qname: all.q fraction: 1.00 [TORQUE] qname: [MOAB] partition: # Supercomputing environment parameters [GRID] # BORGES parameters for "borges" database generation number_of_pdbs_per_tar: 5 number_of_parallel_grid_jobs: 100 type_remote: type_local: #type_remote: MOAB #type_remote: TORQUE #REMOTE GRID CONFIGURATION path_remote_phaser: /data1/opt/ccp4-7.0.6/ccp4-7.0/bin/phaser path_remote_shelxe: /data1/opt/ccp4-7.0.6/ccp4-7.0/bin/shelxe path_remote_borgesclient: python_remote_interpreter: remote_frontend_username: ale35 remote_frontend_host: badb.rc-harwell.ac.uk path_remote_sgepy: home_frontend_directory: /home/ale35 remote_frontend_port: 22 remote_fylesystem_isnfs: True remote_frontend_prompt: $ #complete the remote_submitter keywords only if needed #remote_submitter_username: #remote_submitter_host: localhost #remote_submitter_port: 22 #remote_submitter_prompt: $