Hello! In response to the reply I received below, I attempted to follow the instructions on http://openbabel.org/wiki/CMake. I am trying to do this on a windows machine. I believe I installed Cmake correctly but when I try to execute the suggested lines:
cd openbabel-2.x mkdir build cd build cmake -DBUILD_SHARED=OFF .. make at cmake, I get this error: CMake Error: The source directory "C:/Program Files/OpenBabel-2.3.1" does not ap pear to contain CMakeLists.txt. Specify --help for usage, or press the help button on the CMake GUI. and when I go to the folder.. I don't see any CMakelists. Also, below in the Creating custom static binaries section, it says that there should be the static_executable folder... but I don't see that either >From the webpage: "In the openbabel-2.3.0/doc/examples/static_executable/ directory there is an example CMakeLists.txt file to build custom static binraries. There are only two files: doc/examples/static_executable/myexe.cpp doc/examples/static_executable/CMakeLists/txt" Am I doing something wrong? Sorry if I'm asking really elementary questions.. I'm really new to programming - so new that I have trouble installing stuff apparently.. Thanks so much again. Sarah OpenBabel-discuss Digest, Vol 79, Issue 6 On 05/12/2012 00:10, Sarah Rodriguez wrote: > Hi, > > I asked the earlier question: > > On 11/11/2012 04:01, Sarah Rodriguez wrote: > > Hello, > > I am wondering if I have 2 large databases that I want to compare the > > structures in, would I be able to do this in babel? > > Thanks for your reply. I was really helpful. As a followup, is there > anyway to put those duplicated (non-unique) structures into a separate > file?? Thanks! Not in v2.3.2. But prompted by your original question, I extended --unique to provide this capability, but did not committed it until now. But if you want to use it you will have to download and compile the code in SVN trunk yourself. Chris ------------------------------------------------------------------------------ LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial Remotely access PCs and mobile devices and provide instant support Improve your efficiency, and focus on delivering more value-add services Discover what IT Professionals Know. Rescue delivers http://p.sf.net/sfu/logmein_12329d2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
