1. Construct the 3D model of your interest protein and place the file in the Prethermut directory
2. Open the file of parameter.txt and place your constructed PDB file name in the file.
For example, please replace the 5cro.pdb with your PDB name.
3. Place the target mutants in the file of mutants.txt.
? The format of the file is shown as follows.
0.4*5CRO*A 36 S*Q 16 L*
2.8*5CRO*Q 16 L*
The elements were divided by the character of asterisk. The first element was the experimental determined ¦¤¦¤G. If you don¡¯t have the value of the mutant, please place 0 in the element. The second element was the PDF name. The others were the mutation information. If you have multiple mutations, please separate them with an asterisk.
4. Run the program by executing the command of run_all_pro.dat.
5. All of the results were shown in the file of train_pres_out_mutants.
If you have some question, please don¡¯t hesitate to contact with (tianjian3721#163.com).