A Quick Example

Calculating PGT

In order to quickly get started with the PGT program, I will demonstrate the entire process using the T0805_A.pdb file in ./example/ directory as input.

You only need to run the following order:

python predict.py T0805 ./example/T0805_A.pdb

Then, you will get the results in the folder: /example/T0805_TopPrediction.txt

#The top20predictions:
Number  Residue1  Residue2  Score
1       11        38        0.9674    
2       139       142       0.9418    
3       142       143       0.9282    
4       135       138       0.9234    
5       131       134       0.9189    
6       11        143       0.9125    
7       55        211       0.8962    
8       54        210       0.8929    
9       7         150       0.8927    
10      7         147       0.8895    
11      138       139       0.8814    
12      55        209       0.8787    
13      7         146       0.8754    
14      12        41        0.8740    
15      55        210       0.8694    
16      42        142       0.8658    
17      40        203       0.8596    
18      14        41        0.8593    
19      43        157       0.8588    
20      134       135       0.8547