Table 5.
Overview of the scripts archive content.
| Folder | File | Type | Description |
|---|---|---|---|
| . | README.txt | README file | README file |
| 1pok_3.pdb | Demo Input | Demonstration PDB file | |
| pymol_visualization.py | PyMol Script | Enables the visualization of properties on structures, and also symmetry axes | |
| freesasa-2.0.3.tar | Archive | FreeSASA software v2.0.3 that needs to be installed to perform ASA calculations | |
| wrapper_nDp_and_stickiness_calculations.pl | Perl Script | Calculation of the different nDp versions and environment stickiness | |
| 1pok_3.nDp_and_stickiness | Demo Output | Different nDp versions and environment stickiness for 1pok_3 in tabulated file | |
| ./nDp | nDp_calculation.pl | Perl Script | Calculation of the different nDp versions |
| ananas_linux | Binary | AnAnaS software v0.6 for Linux platforms required to perform symmetry calculations, no installation is required | |
| ananas_mac | Binary | AnAnaS software v0.6 for Darwin (Mac) platforms required to perform symmetry calculations, no installation is required | |
| 1pok_3.sym | Demo Output | Symmetry order and axes coordinates for 1pok_3 in tabulated file, as calculated by the software AnAnaS | |
| 1pok_3.nDp | Demo Output | Different nDp versions for 1pok_3 in tabulated file | |
| ./environment_stickiness | environment_stickiness_calculation.pl | Perl Script | Calculation of the environment stickiness |
| 1pok_3.asa | Demo Output | ASA for 1pok_3 in tabulated file, as calculated by the software FreeASA | |
| 1pok_3.stickiness | Demo Output | Environment stickiness for 1pok_3 in tabulated file |
Demonstration input and output files are provided for each script.