Pdb2tap example

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Using a single PDB chain:

./pdb2tap -i ../samples/102M.pdb -c A 

The the TAP value is shown as follows:

0.8299	

Using all chains in the PDB and also getting a TAP value per residue:

./pdb2tap -i ../samples/1A3W.pdb -P output  --allchains

The the TAP value is shown as follows:

0.7182

And the output file would contain the index of each residue and the corresponding TAP value.

If by the other side a nmr PDB file chain is used:

./pdb2tap -i ../samples/1IHQ.pdb -c A --nmr 

The output would be the corresponding TAP value of that chain for each model, as shown as follow:

Model# 1	   0.6739	
Model# 2	   0.6890	
....
Model# 9	   0.6954	
Model# 10	   0.7254	
Average TAP = 	   0.6864	SD =   0.0156	min =   0.6681	max =   0.7254

Instead, if all the chains should be considered in a nmr PDB file chain:

./pdb2tap -i ../samples/1IHQ.pdb -P sal --allchains --nmr 

The output would be the corresponding TAP value of all chains in each model, as shown as follow:

Model# 1	   0.7029	
Model# 2	   0.6891	
..
Model# 9	   0.7012	
Model# 10	   0.7103	
Average TAP = 	   0.6901	SD =   0.0129	min =   0.6687	max =   0.7103