pdbrust 0.7.0

A comprehensive Rust library for parsing and analyzing Protein Data Bank (PDB) files
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25

****************************************************************
*                       DockQ                                  *
*   Scoring function for protein-protein docking models        *
*   Statistics on CAPRI data:                                  *
*    0.00 <= DockQ <  0.23 - Incorrect                         *
*    0.23 <= DockQ <  0.49 - Acceptable quality                *
*    0.49 <= DockQ <  0.80 - Medium quality                    *
*            DockQ >= 0.80 - High quality                      *
*   Ref: S. Basu and B. Wallner, DockQ: A quality measure for  *
*   protein-protein docking models                             *
*                            doi:10.1371/journal.pone.0161879  *
*   For comments, please email: bjorn.wallner@.liu.se          *
****************************************************************
Model  : examples/model.pdb
Native : examples/native.pdb
Total DockQ over 1 native interfaces: 0.700 with AB:AB model:native mapping
Native chains: A, B
	Model chains: A, B
	DockQ: 0.700
	iRMSD: 1.232
	LRMSD: 1.516
	fnat: 0.533
	fnonnat: 0.238
	F1: 0.627
	clashes: 2