EF-X crystal MD EGFP calculated electron density maps

The entirety of the dataset is contained in the processed_data zip file. There will be six folders inside. For convenience, we also uploaded the zip file for each of these folders. <br> The first five folder each contains the average electron density map computed from a single replicate of crystal MD simulation of EGFP according to the procedures described in the project notebooks on GitHub. The last one contains aggregated maps using data from all replicates and all protein chains. <br> The filenames in the first five folder are composed of multiple parts: 1. Simulation condition, e.g., EF_10MV_cm means electric field strength at 10MV/cm. 2. partial_{n_epochs}, where n_epochs * 0.01 is the duration of trajectory (ns) used for averaging, e.g., partial_150 means a 1.5ns-long trajectory is used. 3. chainwise_{phase}, where phase is from {positive, negative, or zero}, and it stands for the corresponding phase of the EF pulses for which we compute the average density map. 4. subtraj_{chain_id}_avg, where chain_id ranges from 0 to 3. indexes the protein chains in our EGFP unit cell used for simulation. <br> There are also internal and ordinary difference maps (see notebooks for definition). The naming convention is as such: 1. diff_{chain_id}_{phase_1}_{phase_2} refers to an ordinary difference map between the two phases of EF pulse. 2. diff_{phase}_{chain_id_1}_{chain_id_2} refers to an internal difference map between two chains. <br> Finally, we also provide the "ground truth" density map obtained from experiment and the corresponding molecular coordinates, named as "GFP_SSRL_refine_54_final.mtz" and "GFP_SSRL_final.pdb"