HBAT is a program that provides a simple but powerful method of displaying hydrogen-bonding information present in the PDB file, including all the data required to distinguish and analyse individual hydrogen bonds.
HBAT is a free open-source software. It is licensed under the GNU General Public License (GPL).
This application is currently under development. HBAT is intended for use with the Berkeley Insight MDPS tool. HBAT is a program that provides a simple but powerful method of displaying hydrogen-bonding information present in the PDB file, including all the data required to distinguish and analyse individual hydrogen bonds.
The application is written in the C++ Programming language, and runs on the Linux operating system.

HBAT software version
Software version: 1.2
Commit ID: 962c8db5

License
The software is licensed under the GNU General Public License (GPL).
GPL means that you are free to do with the software whatever you want, but that for most users
you have to make their changes available under the same license.
The distribution of this software cannot be done without the source code.

Practicalities of using HBAT
HBAT is freely available for download.
If you want to compile the program yourself then you are advised to
get the source code and compile it yourself.
There is no need for you to pay for HBAT, to get the source code or to
compile and install the program.

If you already have compiled HBAT and wish to use it, then you do not have
to get the source code and
compile it yourself.
To use HBAT, you just need to install the compiled software.

HBAT is provided as an open source program, and is released under the GNU General Public License (GPL).
GPL means that you are free to do with the software whatever you want, but that for most users
you have to make their changes available under the same license.
The distribution of this software cannot be done without the source code.

If you want to compile the program yourself then you are advised to
get the source code and compile it yourself.
There is no need for you to pay for HBAT, to get the source code or to
compile and install the program.

If you already have compiled HBAT and wish to use it, then you do not have
to get

HBAT-Hydrogen Bond Analysis Tool is a program designed to automate the analysis of hydrogen bonds present in a PDB structure file. The program provides several functions: 1) Automate the analysis of hydrogen bonds; 2) Automate the analysis of hydrogen bonds by a sequence of rigid body superimposition operations; 3) Automate the analysis of hydrogen bonds by a sequence of protein-protein complex rigid body superimposition operations; 4) Automate the analysis of hydrogen bonds based on protein-protein contact surface.

Highlights of HBAT-Hydrogen Bond Analysis Tool:

1\) HBAT-Hydrogen Bond Analysis Tool is a command line program without graphical interface, you should be easy to install and operate.

2\) HBAT-Hydrogen Bond Analysis Tool provides several functions, including: Check hydrogen bond base on protein-protein complex rigid body superimposition, check hydrogen bond base on protein-protein rigid body superimposition, Automate the analysis of hydrogen bonds, Automate the analysis of hydrogen bonds by a sequence of rigid body superimposition operations, Automate the analysis of hydrogen bonds by a sequence of protein-protein complex rigid body superimposition operations.

3\) Perform Automated analyses that are supported by PDB file.

4\) Perform a manual analyses to those failures that the program can’t automate.

HBAT-Hydrogen Bond Analysis Tool Requirements:

1\) Windows;

2\) MS Visual C++ 2008, 2010, 2012, 2013 or 2015, without any graphical interface.

User can start HBAT-Hydrogen Bond Analysis Tool after installation.

1\) Click ‘Start’ menu and select ‘run’ to start HBAT-Hydrogen Bond Analysis Tool.

2\) Start HBAT-Hydrogen Bond Analysis Tool and select ‘Properties’ – ‘Compile’ menu. Click ‘Next’ to continue.

3\) Select ‘Visual C++ 2008’, without any graphical interface, to continue. Click ‘Next’ to continue.

4\) Select ‘Visual C++ 2010, 2012, 2013 or 2015’ if the Visual Studio 2010, 2012, 2013 or 2015 is not installed. Click ‘Next’ to continue.

5\) Press ‘Finish’ button to install HBAT-Hydrogen Bond Analysis Tool.

6\) Download HBAT-Hydrogen Bond Analysis Tool and install in your computers.

7\) Start HBAT-Hydrogen Bond Analysis Tool
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HBAT-Hydrogen Bond Analysis Tool is a program designed to automate the analysis of hydrogen bonds present in a PDB structure file.
HBAT-Hydrogen Bond Analysis Tool FAQ:
Q:Can I use HBAT to analyze protein structures in pdb format?
A:Yes. From the command line you can use HBAT for protein structures in.pdb format. The HBAT analysis is done in the same way as for protein structures in ligand-based format, with the only difference being that the hydrogen bonding distances are not stored for analysis.
HBAT-Hydrogen Bond Analysis Tool Examples:
Name File:
example.pdb
Description:
In this example, it is assumed that HBAT has been loaded with the molecule provided in File: example.pdb.
Format: HBAT Example
Title: Example of pdb from command line
Author: David K.W. Low
Genes:
HBAT Example
Display Menu: HBAT Example
Command Line: HBAT example
Expected Result:
The pdb file in the HBAT example is run with HBAT. The analysis results are listed in Figure 1.
Figure 1: Example results (Analysis ID 1)
NB:
The display in Figure 1 is generated by running HBAT with the -d option
HBAT Example Analysis ID 1
Data:
Example1.pto
Results:
S2.1. HI: v(O(C=C-1-2)H(N)-N=C(1)C-C(2)=C(2)-1);
HI: v(O(C=C-1-2)H(N)-N=C(1)C-C(2)=C(2)-1);
S1.1. HI: v(O(C=C-1-2)H(N)-O=C(2)H(2)O(C=C(2)-C(2)-C(3)-2)-1);
S1.1. HI: v(O(C=C-1-2)H(N)-O=C(2)H(2)O(C=C(2)-C(2)-C(3)-2)-1);
S2.2. HI: v(O(C=C-1-2)H(N)-N=C(2)C(3)

———————————————————————–
HBAT-Hydrogen Bond Analysis Tool is designed to automate the analysis of hydrogen bonds present in a PDB structure file. HBAT is a program that analyses the hydrogen bond interactions in a 3D structure file and output a summary table that shows each hydrogen bond type present. The tool is available for download in Portable Document Format (.pdf), and is loaded and run using the portable version of WinHEC.
HBAT-Hydrogen Bond Analysis Tool Key Features:
———————————————————————–
1. Identify hydrogen bonds present in a given 3D structure file.
2. Automatically detect hydrogen bonds present in an input file.
3. Analyse the hydrogen bond geometry and analyze the hydrogen bond chain.
4. Automatically output a summary table that shows each hydrogen bond type present.
5. A table is output for each category present.
6. Identify the chemical environment of each hydrogen bond.
7. Generate a 2D and a 3D representation of a hydrogen bond.
8. Automatically detect PDB files that have been input into HBAT using a sequential scan.
9. Proteins are analysed with a specific focus on hydrophobic interactions present in binding sites.
10. Use a graph database to organise all detected interactions and classify them.
11. Include a web interface to HBAT, and display hydrogen bonds graphically.
12. Detailed running instructions.
———————————————————————–
HBAT-Hydrogen Bond Analysis Tool Usage:
———————————————————————–
1. Go to “User Guide > HBAT” to get an overview of HBAT and how to run it.
2. Point HBAT to a directory that contains HBAT.exe.
3. Select a 3D file to be analysed with HBAT.
4. HBAT will open and display the appropriate results.
5. Select any of the H-bond analyses options from the menu or toolbar (see HBAT download page).
6. Select a view of the 3D structure (wireframe, surface or ribbon) when running the analyses.
7. Set the colour of the hydrogen bonds (representing the acceptor and donor residues).
8. Use the output window to verify the results.
9. Save the output results to a new file.
10. Set the view and sorting options using the HBAT menu or toolbar.
11. Adjust the output by selecting the graphical representation that you wish to view or save.
12. Select the table

– Windows 8.1, 8, 7, Vista, XP (32-bit and 64-bit).
– 1 GB RAM.
– High speed internet connection.
– A microphone.
– 1080p TV or higher.
– 700 GB of free hard drive space.
– Headset.
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