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PanDDA

Summary

Source: https://bitbucket.org/pandda/pandda/src/master/

License: unknown

Documentation: https://pandda.bitbucket.io/

Path: part of the ccp4 installation

Citation:

  • Pearce, N. M. et al. (2017) ‘A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density', Nature Communications.
  • Pearce, N. M., Krojer, T. and von Delft, F. (2017) ‘Proper modelling of ligand binding requires an ensemble of bound and unbound states’, Acta Crystallographica Section D.

Pan-Dataset Density Analysis. Multi-dataset crystallographic analysis for the identification of ligand binding and structural events

Using PaNDDA

To initialize the environment use the module command:

xwhich PanDDA

 No executable named PanDDA found 
 Documentation: https://docs.desy.de/maxwell/applications/PanDDA
 URL:           https://pandda.bitbucket.io/
 Manual:        https://pandda.bitbucket.io/

xwhich pandda.inspect

 Provided by module(s)
  ... module load xray                                         which pandda.inspect: /opt/xray/ccp4-7.0/bin/pandda.inspect 
  ... module load ccp4/7.0                                     which pandda.inspect: /opt/xray/ccp4-7.0/bin/pandda.inspect 
  ... module load ccp4/7.1                                     which pandda.inspect: /opt/xray/ccp4-7.1/bin/pandda.inspect 

 Documentation: https://docs.desy.de/maxwell/applications/PanDDA
 URL:           https://pandda.bitbucket.io/
 Manual:        https://pandda.bitbucket.io/