Materials for "Electric-field-stimulated protein mechanics", Hekstra et al. Nature 2016

Comparison_v20150804.zip Various visualization files, provided as is. These were created before I was comfortable with such things as version control, GitHub, or Zenodo. The provided PDB files, maps, scripts and PyMOL sessions may not match exactly what was published as they represent the iterations I have on hand nearly a decade later -- many prepared about a year before acceptance of the paper. We may have made further refinements, for example, in response to reviewer comments. Precognition_hkls.zip Contents in this folder derive from processing of the e35 data that formed the basis for the original EFX paper. I initially gathered those for Jack Greisman and shared by google folder (now in the Hekstra lab shared drive/people_shares/DH_JBG_share/DH_2_JBG/Laue_data_processing_JBG_RR_BRL/Laue_data_processing_JBG_RR_BRL/). epinorm_hkl: Contains original EpiNorm outputlarge_P1: Contains MTZ versions of same using the unit cell of the original C2 spacegroup (see PDB ID 5E11) **small_P1: Contains MTZ versions of same using the reduced-symmetry spacegroup unit cell (see PDB ID 5E22) **logs: Original processing logsother: Some other files that were contained in the starting directory.PDBs: 5E11: OFF model in C2 (taken from the PDB) 5E11_pdbset2.pdb: OFF model in small-P1* 5E22: ON model at 200ns (taken from the PDB) notes:* I regenerated this model based on the instructions in the Methods section of the paper as I couldn't readily find this model--used PDBSET for this. Note that I assumed that rotation around the c* direction equals rotation around Z in the Z-Y-Z Euler angle convention that PDBSET uses. ** I generated new MTZs from the HKL files using rs as described in the included Jupyter notebook. Note that the original EFX paper was written at a time when everything was calculated using custom Matlab scripts, back in the Dark Ages. DH, June 23, 2025; DH, July 28, 2025: updated to account for missing filtering of some C2 systematic absences that made it through bc of processing in P1.