ADL: Autodock MSVC

Sargis Dallakyan sargis at scripps.edu
Tue Jun 23 10:11:33 PDT 2009


Jack Shultz wrote:
> Hello,
> 
> I'm trying to build autodock so it is compatible with the BOINC
> libraries. Some boinc developers think it would be better to avoid
> building this in cygwin. I tried this two years ago and gave up. I'm
> making another attempt. This time I'm trying to build it in visual
> studio c++. I am encountering many libraries and headers that are
> incompatible so I am looking for the right code modifications that
> will make this work. Has anyone else attempted this?

I've tried this a couple of years ago too and managed to build autodock 
with MS compiler. I tried this again after your post on gpuautodock, 
since I couldn't use the Cygwin gcc with CUDA:
http://forums.nvidia.com/index.php?showtopic=42906

I haven't push gpuautodock too hard since OpenCL might become a better 
alternative to CUDA, and hopefully, more users will have CUDA or OpenCL 
enabled graphics card.

Regarding building autodock with visual studio c++: I came across this 
page that discusses building OpenBabel with MinGW:
http://www.bioinformatics.org/molekel/wiki/pmwiki.php/Main/OpenBabel

The changes that needs to be done in autodock are similar to what is 
written in that page. However, I don't know Microsoft Visual Studio well 
enough to make a project that would handle both autodock and autogrid.

Cheers,
Sargis


-- 

Sargis Dallakyan, Ph.D. - Research Programmer III
The Scripps Research Institute,
Dept. Molecular Biology,  MB-5,
10550  North Torrey Pines Road,
La Jolla,  CA 92037-1000
Tel: (858) 784-9559
http://mgltools.scripps.edu/Members/sargis


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