AboutDownloadsDocumentsForumsSource CodeIssues
Instructions and Details

1. Download and unzip CB[7]_iL_setup.zip into a directory called CB[7]. This will contain the scripts that I used to conduct the calculations. To reproduce the results with the same code, you will also need NAMD, Mining Minima, UHBD, and MATLAB. Optionally, 2. Download and unzip imLig_min_HREX_data.zip within the CB[7] directory. 3. Download the data for each ligand and unzip them within the CB[7]/imLig_HREX directory.