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_dectris_eiger2_16m
- lscat_rayonix_mx300
- necat_dectris_eiger16m
- necat_dectris_pilatus6mf
- necat_dectris_eiger2_16m
- sercat_rayonix_mx300hs
-
UCLA
- ucla_rigaku_raxisivpp
For instructions on installation and setup, see install/README.md