Vina is an open source project found at http://vina.scripps.edu/. Newer versions of Vina are faster than the one used by the fmah project code.
This guide comes with no warranty, implied or otherwise. Use at your own risk.
1. Download and Install Vina
Download from: http://vina.scripps.edu/download.html
Install guide: http://vina.scripps.edu/manual.html#installation
2. Stop BOINC
Stop BOINC making sure to stop tasks. You might wish to run your fmah tasks to zero as any existing ones will be abandoned.
3. Copy Vina to BOINC
Copy vina.exe to your fmah project folder.
In Windows 7 64 bit this will be from here:
Code: Select all
C:\Program Files (x86)\The Scripps Research Institute\Vina\
to:
C:\ProgramData\BOINC\projects\boinc.ucd.ie_fmah\
4. Rename Vina for BOINC
Rename vina.exe to Vina_TSBT.exe.
You need to rename it so existing code doesn't get confused. I thought I would tag it with our team name. 8)
5. Create an app_info file for the project
Code: Select all
<app_info>
<app>
<name>vina</name>
</app>
<file_info>
<name>Vina_TSBT.exe</name>
<executable>
</file_info>
<app_version>
<app_name>vina</app_name>
<version_num>300</version_num>
<platform>windows_intelx86</platform>
<avg_ncpus>1</avg_ncpus>
<max_ncpus>1</max_ncpus>
<cmdline>--receptor receptor.pdb --ligand ligand.pdb --config conf --cpu 1 --out outfile</cmdline>
<file_ref>
<file_name>Vina_TSBT.exe</file_name>
<copy_file>
<main_program>
</file_ref>
</app_version>
</app_info>
6. Restart BOINC
When you restart all existing fmah tasks will be abandoned and new tasks will be downloaded.
Easy :)
The application will now run as Local: vina 3.00 and will give you a very nice speed increase.
Thought I would add that the idea for this was not my own. See: http://boinc.ucd.ie/fmah/forum_thread.php?id=46. I made this guide to explain why it works and because I loathe having to install binary files from unknown / untrusted sources.