README_folder_inf.txt

ANALYSIS TRAPP
- some folder names and links were not changed due to the fact that some links in the analysis script would not work.
vinardo_runs --> Folder that contains the docking runs for HSP90 and betalactamase by applying vinardo. 
RIPlig-5lr1 --> L-RIP analysis starting from 5lr1 by using the webserver. Furthermore, it contains the space for the main and sub pocket in .pdb -format
RIPLIG_5j2x -->L-RIP analysis starting from 5j2x by using the webserver. 
redocking_HSP90 --> redocking of the ligands to their notated crystall structure in the KBBOX dataset, contains aswell the folder structures_hsp90 which is a repository of all the pdb-files used in the HSP90 analysis
dx_vad_ex_box --> Analysis of the L-RIP simualtion from Yuan et al., 2020 of betalactamase 
scripts_analysises_trapp_project --> scripts that were used to run the analyses and to generate all the plots for the thesis. It also contains all the data summarized from the analyses


Conservation
TRAPPSURF --> contains all data and scripts to the TRAPPSURF program