HBPLUS Installation Instructions

1. Download HBPLUS

HBPLUS programs   Click on the icon on the left to download either the hbplus.zip file, which contains the HBPLUS source code, or winhbplus.zip, which contains the executable program for Windows.

2. Install the programs

a. Linux and mac

1. After downloading the hbplus.zip file, move it to an appropriate location. Then unzip as follows:

   unzip hbplus.zip

   This will create a directory called hbplus containing the source code.

2. Go into the hbplus directory and compile the programs by typing:

   make

   If this doesn't work, compile using the following two commands:

   gcc -c *.c
   gcc -o hbplus hbp_gen.o hbp_inpdb.o hbp_findh.o hbp_hhb.o hbp_qnh.o hbp_main.o -lm

   Either way, you should get an executable file called hbplus which you can move into an appropriate directory.

3. Add the file's location to your path in either your .bashrc file (under the bash shell), or .cshrc file (other shells), as follows:
    
   .cshrc file
    
   Add

   set path = ($path [directory])

   where [directory] is the file's location.
    
   .bashrc file
    
   Add

   export PATH="$PATH:[directory]"

   where [directory] is the file's location.

4. Activate the new path by:

   source .cshrc
   or
   source .bashrc

   You can now run the program by typing hbplus. For information on the command-line parameter, see the Operating Manual.

b. Windows

1. After downloading the winhbplus.zip file, right-click on it and select Extract All.
    
   When prompted, choose to extract to C:\, or wherever else you would like to store the program. A directory called hbplus will be created containing the executable file, hbplus.exe.

2. Open a "Command Prompt" window to run the program. You can do so by typing "command" into the Windows search box at the bottom left of your screen:
    
   
   
    
   Then, click on the "Command Prompt" app:
   
    
   
   
    
   And you will get the Command Prompt window:
    
   
   
    
   
3. You can now run HBPLUS in this window.
    
   To check whether the installed executable is compatible with your operating system, go to the hbplus directory using the cd command. For example, if you installed the programs in C:\, the commands would be:

   > C:
   > cd C:\hbplus
   

   If you installed the program elsewhere, then the path in the second command will need to be changed accordingly. For example, if you uzipped it into C:\Users\yourname, the second command becomes:

   > cd C:\Users\yourname\hbplus
   

   Then type:

   > .\hbplus

   If all is OK, you will see the following message:

   
   Usage is:
   
   hbplus {file [pdb_code] | -l dataset.lst} [-nomaxchn]  [-help]
   
   where
        * file           = Name of single PDB file to be processed
        * pdb_code       = Optional 4-character identifier
        * -l dataset.lst = Name of file listing PDB files to be processed
        * -nomaxchn      = Clefts to be generated even if more than 4 chains in structure
   

   If not, you will see something like:

   
   ./hbplus: Exec format error. Binary file not executable.
   

   or

   
   '.\hbplus' is not recognized as an internal or external command, operable program or batch file.
   

   
    
   In which case, please contact roman@ebi.ac.uk.

4. For convenience, it is a good idea to add the name of the directory containing the hbplus.exe file to your system path. You can do this by adding the following line to your autoexec.bat file in the C:\ directory using a text editor such as Notepad or Wordpad:

   set PATH=%PATH%;"C:\hbplus"

   replacing C:\hbplus with the correct directory, if different.
    
   Then, when you open a new Command Prompt, type:

   > C:\autoexec.bat

   unless your system activates this file automatically.
    
   Alternatively, you can add the directory to your path in one of several other ways, as described in: How to Edit User and System Environment Variables in Windows.
    
   Once the path has been set you can run HBPLUS by typing hbplus from any directory.

    

   3. Running HBPLUS

   Instructions for running the program can be found in:

   HBPLUS Manual