I have one more question. Is there anyway to differentiate between a ketone
and an aldehyde in a substructure search?
On Fri, Jul 29, 2011 at 2:44 PM, Jimmy G Lafontaine Rivera <laf...@gmail.com
> wrote:
> Everything works now. Thanks a lot. I compiled the inchi library for 64bit
> use. Do you guys want me to post those anywhere? Again, I really appreciate
> all the help.
>
> Thanks a lot,
> Jimmy
>
>
> On Fri, Jul 29, 2011 at 1:27 AM, Noel O'Boyle <baoille...@gmail.com>wrote:
>
>> At runtime, Windows looks on the PATH to find DLLs. You should ensure
>> that windows-vc2008\build64\bin\Release is at the front of the PATH,
>> along with windows-vc2008\libs\64 (or whatever it's called). You can
>> use (the free) Dependency Walker to find the locations of the DLLs
>> that Windows is going to use when running a particular application.
>>
>> You should also make sure that BABEL_DATADIR points to the data
>> directory in the source repo.
>>
>> - Noel
>>
>> On 28 July 2011 19:24, Jimmy G Lafontaine Rivera <laf...@gmail.com>
>> wrote:
>> > I managed to get it to work, by putting all the compiled files in the
>> > OpenBabel installation folder (I don't think this is the neatest way to
>> do
>> > it, but I don't know the real way). Initially I had forgotten the lib
>> x64
>> > files, but after I moved them the basic program started running. Now
>> when I
>> > try running the program it runs perfectly until I try declaring:
>> > OBSmartsPattern sp;
>> > When compile my program with this line I get the following error:
>> >
>> > Unhandled exception at 0x64f819a6 (msvcp90d.dll) in FuncExe.exe:
>> 0xC0000005:
>> > Access violation writing location 0x000000013fdc1904.
>> > I wasn't having this problem with the 32-bit compilation. Do you guys
>> have
>> > any suggestions as to what may be causing this?
>> > Thanks again,
>> > Jimmy
>> >
>> > On Thu, Jul 28, 2011 at 10:14 AM, Jimmy G Lafontaine Rivera
>> > <laf...@gmail.com> wrote:
>> >>
>> >> I forgot to mention the application compiles without errors. The
>> problem
>> >> is that when I try to run it I get:
>> >> The program '[3596] FuncExe.exe: Native' has exited with code
>> -1073741701
>> >> (0xc000007b).
>> >> The program never runs.
>> >>
>> >> On Thu, Jul 28, 2011 at 10:08 AM, Jimmy G Lafontaine Rivera
>> >> <laf...@gmail.com> wrote:
>> >>>
>> >>> I compiled the InChi library and OpenBabel now compiles in 64bit
>> without
>> >>> any of the InChi errors. Nevertheless, when I try to run an
>> application it
>> >>> fails to run. The application only has a declaration of OBMol so it
>> >>> shouldn't be the code. Is the proper way of linking to OpenBabel
>> written
>> >>> anywhere? I believe I am doing something wrong with the
>> >>> linking/installation.
>> >>>
>> >>> On Thu, Jul 28, 2011 at 9:03 AM, Jimmy G Lafontaine Rivera
>> >>> <laf...@gmail.com> wrote:
>> >>>>
>> >>>> Ok. I'll take a look. Thanks a lot.
>> >>>> On Thu, Jul 28, 2011 at 9:03 AM, Noel O'Boyle <baoille...@gmail.com>
>> >>>> wrote:
>> >>>>>
>> >>>>> I left instructions to myself in libs/x64/readme.txt. The InChI
>> >>>>> version number is probably out of date, but the recipe should
>> >>>>> hopefully still work...
>> >>>>>
>> >>>>> On 28 July 2011 17:00, Jimmy G Lafontaine Rivera <laf...@gmail.com>
>> >>>>> wrote:
>> >>>>> > I don't think I need xdr, but my code does use InChi. I can try to
>> >>>>> > recompile
>> >>>>> > the InChi code for 64 bit, but I'm not sure how to do it. Do you
>> guys
>> >>>>> > have
>> >>>>> > any hints on how to do this?
>> >>>>> > Thanks
>> >>>>> > Jimmy
>> >>>>> >
>> >>>>> > On Thu, Jul 28, 2011 at 8:50 AM, Geoffrey Hutchison
>> >>>>> > <ge...@geoffhutchison.net> wrote:
>> >>>>> >>
>> >>>>> >> > After you pointed out that it's not finding cmake.exe, I
>> realized
>> >>>>> >> > that
>> >>>>> >> > I'm using cmake 2.8 so I just changed the 2.6 for 2.8 in the
>> >>>>> >> > 64-bit build
>> >>>>> >> > bat file and it worked. Nevertheless I got a couple unresolved
>> >>>>> >> > externals
>> >>>>> >> > when I tried to compile. These are:
>> >>>>> >> > _imp_FreeStructFromINCHI
>> >>>>> >> > _imp_GetStructFromINCHI
>> >>>>> >> > _imp_GetINICHI
>> >>>>> >>
>> >>>>> >> I doubt the InChI library is compiled for 64-bit Windows. You
>> should
>> >>>>> >> probably compile the code in src/formats/inchi -- I don't use the
>> >>>>> >> Windows
>> >>>>> >> build, but under UNIX / Mac, the flag to CMake is WITH_INCHI
>> >>>>> >> (-DWITH_INCHI=true)
>> >>>>> >>
>> >>>>> >> Hope that helps,
>> >>>>> >> -Geoff
>> >>>>> >
>> >>>>
>> >>>
>> >>
>> >
>> >
>>
>
>
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