Pdb2tap example
From victor
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
