Re: [Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-29 Thread Jimmy G Lafontaine Rivera
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 wrote: > Everything works now. Thanks a lot. I compiled the inchi library for 64bit > use. Do you guys want me t

Re: [Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-29 Thread Jimmy G Lafontaine Rivera
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 wrote: > > I managed to get it to work, by putting all the compiled files in the >

Re: [Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-28 Thread Jimmy G Lafontaine Rivera
n'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 withou

Re: [Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-28 Thread Jimmy G Lafontaine Rivera
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 (0xc07b). The program never runs. On Thu, Jul 28, 2011 at 10:08 AM, Jimmy G Lafontaine Ri

Re: [Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-28 Thread Jimmy G Lafontaine Rivera
where? I believe I am doing something wrong with the linking/installation. On Thu, Jul 28, 2011 at 9:03 AM, Jimmy G Lafontaine Rivera wrote: > Ok. I'll take a look. Thanks a lot. > > On Thu, Jul 28, 2011 at 9:03 AM, Noel O'Boyle wrote: > >> I left instructions to m

Re: [Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-28 Thread Jimmy G Lafontaine Rivera
Ok. I'll take a look. Thanks a lot. On Thu, Jul 28, 2011 at 9:03 AM, Noel O'Boyle 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 version number is probably out of date, but the recipe should 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

Re: [Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-28 Thread Jimmy G Lafontaine Rivera
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 p

Re: [Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-28 Thread Jimmy G Lafontaine Rivera
ould fix the problem, but the error presumably is > because you have cmake installed elsewhere and so "C:\Program Files > (x86)\CMake 2.6\bin\cmake.exe" fails. > > - Noel > > On 27 July 2011 00:33, Jimmy G Lafontaine Rivera wrote: > > I need to compile OpenBabe

[Open Babel] Problems Compiling OpenBabel for x64 Windows

2011-07-26 Thread Jimmy G Lafontaine Rivera
I need to compile OpenBabel for Windows x64, but when I run the x64_default_build.bat file I get the following error: C:\Users\DuckMaster\Documents\Visual Studio 2008\Projects\openbabel-2.3.0\window s-vc2008\build_x64>"C:\Program Files (x86)\CMake 2.6\bin\cmake.exe" -DCMAKE_INST ALL_PREFIX=..\inst

Re: [Open Babel] Error When Running Program

2011-07-18 Thread Jimmy G Lafontaine Rivera
I am not sure how to fix this error. Any help will be appreciated. Thanks PS. The message sent early. Sorry about that On Mon, Jul 18, 2011 at 4:08 PM, Jimmy G Lafontaine Rivera wrote: > Hi, I have been unable to run a program correctly. I need the program to > take a molecule from a

[Open Babel] Error When Running Program

2011-07-18 Thread Jimmy G Lafontaine Rivera
Hi, I have been unable to run a program correctly. I need the program to take a molecule from a SMILES string a perform a substructure search on it. I get the following error: "Access violation reading location 0x0081". I am not sure if the problem was on the installation of the libraries or it