NB - This project is under development and is bleeding edge. Code should stabilize significantly June 2021.

A package for automated indexing, strategy, integration, analysis, & structure solution of macromolecular crystallographic data.

Currently we are building out capabilities to the commandline and adding detectors to the software.

Current commands:

• analyze - analyze an MX data set and perform pdbquery
• get_cif - get a CIF file from the PDB by 4-character code
• get_pdb - get a PDB file from the PDB by 4-character code
• hdf5_to_cbf - convert hdf5 files to CBF
• index - index MX data and calculate data collection strategies
• integrate - integrate MX data
• pdbquery - compare data to input structures, common contaminants, or structures in the PDB with similar unit cell parameters

Developer commands:

• generate - create new RAPD templated files
• print_detector - print image file information
• python - python CLI with full RAPD imports available
• test - test runnner for RAPD project
• version - prints the current installed RAPD version
• xds_to_dict - transforms an XDS.INP to a python dict for including in RAPD detector file

Current site detectors supported (more are coming):

• APS

  • aps_gmca_dectris_eiger16m
  • lscat_dectris_eiger9m
  • lscat_rayonix_mx300
  • necat_dectris_eiger16m
  • necat_dectris_pilatus6mf
  • sercat_rayonix_mx300hs

• UCLA

  • ucla_rigaku_raxisivpp

For instructions on installation and setup, see install/README.md