1,330
edits
Phenix: Difference between revisions
Jump to navigation
Jump to search
→phenix.model_vs_data - statistics
| Line 23: | Line 23: | ||
=== phenix.model_vs_data - statistics === | === phenix.model_vs_data - statistics === | ||
not yet documented. Just use "phenix.model_vs_data model.pdb data.hkl" where data.hkl is a reflection file in most of known formats | not yet documented. Just use "phenix.model_vs_data model.pdb data.hkl" where data.hkl is a reflection file in most of known formats. phenix.model_vs_data can output the map defined as: | ||
[p][m]Fo+[q][D]Fc[kick][filled]. | |||
Examples: 2mFo-DFc, 3.2Fo-2.3Fc, Fc, anom, fo-fc_kick. | |||
So, if you say | |||
phenix.model_vs_data model.pdb data.mtz --map=fc | |||
you will get an MTZ file with desired structure factors. | |||
=== [http://www.phenix-online.org/documentation/fmodel.htm phenix.fmodel] - calculate structure factors from model === | === [http://www.phenix-online.org/documentation/fmodel.htm phenix.fmodel] - calculate structure factors from model === | ||