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Point to output models and localization densities.
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benmwebb committed May 24, 2017
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Expand Up @@ -16,8 +16,6 @@ A full description of the scripts can be found in
- `scripts`
- `sj_SEA_multi_layers.py` The main modeling script with 1:3 stoichiometry and rotational symmetry

- `chimera_scripts/sea_density.cmd` Chimera script to view all localization density files

- `MODELLER/Npr2` MODELLER scripts to generate comparative models of Npr2

- `MODELLER/Npr3` MODELLER scripts to generate comparative models of Npr3
Expand All @@ -30,13 +28,15 @@ A full description of the scripts can be found in

- `MODELLER/SEA4` MODELLER scripts to generate comparative models of SEA4

- `output/three_sym_cluster`

- `outputs/pdbs` the production will write the best scoring models into pdb files they are initialized and then updated as long as the calculation goes
(They are the best 500 models, so at the beginning they are empty, since you haven't start the calculation yet)
- Largest output cluster as a set of RMF files. Each file is named
`XX_REFINED_models_YY.rmf` where `XX` identifies the run from which the
model was taken and `YY` the frame number. For the publication, 885 runs
were carried out.

- `outputs/rmfs` the production will write the rmf3 files for lowest temperature replica.

- `stat.n.out` log files. They contain all relevant numbers of the calculation.
- `global` Localization densities in MRC format and a Chimera session file
(`Chimera_three_sym.py`) to display them.

## Running the MODELLER scripts:
- `mod9.12 scripts/MODELLER/Npr2/all_sjkim_final1.py` : Npr2 9-127
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