[Open Babel] Tidying up files
Hi, I often end up editing files using a text editor because they contain features that are not compatible with other programs. In particular removing salts and/or solvents and expanding fragment labels e.g TMS, t-butyl etc. Would it be possible to do this within openbabel, perhaps an "obtidy" program? Cheers Chris -- Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct ___ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
Re: [Open Babel] Setting stereochemistry with Python openbabel
Hi, A while back, Tim, you kindly introduced some Python bindings to set bond stereochemistry. I tried to compile openbabel from SVN afterwards, but didn't succeed, and let it lie for a while. I've now re-attempted compilation after updating svn (trunk) using cmake version 2.6-patch 4, gcc 4.1.2, and keep on running into this error, looks like it happens during generation of the python bindings (for 2.7.1): [ 99%] Building CXX object test/CMakeFiles/test_unitcell.dir/unitcell.o Linking CXX executable ../bin/test_uniqueid [ 99%] Built target test_uniqueid [100%] Built target test_unitcell /home/software/src/openbabel_svn/include/openbabel/mol.h:749: Error: Syntax error in input(3). /home/software/src/openbabel_svn/include/openbabel/mol.h:755: Warning(317): Specialization of non-template 'max_value'. /home/software/src/openbabel_svn/include/openbabel/mol.h:788: Warning(305): Bad constant value (ignored). make[2]: *** [../scripts/python/openbabel-python.cpp] Error 1 make[1]: *** [scripts/CMakeFiles/bindings_python.dir/all] Error 2 make: *** [all] Error 2 If anyone can give me a pointer to what I can still try or might be doing wrong: your help is most welcome! Thanks, Wim -- Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct ___ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
[Open Babel] Lucifox - chemistry in EPUB ebooks in Firefox?
Lucifox is a free (as in freedom) EPUB reader addon for Firefox, currently supporting OPDS for distribution, SVG and in the upcoming version - MathML - both in EPUB 3 and 2 formatted ebooks. What would be the best free software approach to extend Lucifox to display molecules and what not in EPUB ebooks? Cheers, Haakon -- Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct ___ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
Re: [Open Babel] Lucifox - chemistry in EPUB ebooks in Firefox?
Probably a javascript molecular viewer. On 22 October 2012 09:04, Haakon Meland Eriksen wrote: > Lucifox is a free (as in freedom) EPUB reader addon for Firefox, > currently supporting OPDS for distribution, SVG and in the upcoming > version - MathML - both in EPUB 3 and 2 formatted ebooks. > > What would be the best free software approach to extend Lucifox to > display molecules and what not in EPUB ebooks? > > Cheers, > Haakon > > > -- > Everyone hates slow websites. So do we. > Make your web apps faster with AppDynamics > Download AppDynamics Lite for free today: > http://p.sf.net/sfu/appdyn_sfd2d_oct > ___ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss -- Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct ___ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
Re: [Open Babel] Lucifox - chemistry in EPUB ebooks in Firefox?
Am 24.10.2012 16:57, schrieb Noel O'Boyle: This? http://web.chemdoodle.com/tutorial/2d-structure-canvases/viewer-canvas > Probably a javascript molecular viewer. > > On 22 October 2012 09:04, Haakon Meland Eriksen wrote: >> Lucifox is a free (as in freedom) EPUB reader addon for Firefox, >> currently supporting OPDS for distribution, SVG and in the upcoming >> version - MathML - both in EPUB 3 and 2 formatted ebooks. >> >> What would be the best free software approach to extend Lucifox to >> display molecules and what not in EPUB ebooks? >> >> Cheers, >> Haakon >> >> >> -- >> Everyone hates slow websites. So do we. >> Make your web apps faster with AppDynamics >> Download AppDynamics Lite for free today: >> http://p.sf.net/sfu/appdyn_sfd2d_oct >> ___ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > -- > Everyone hates slow websites. So do we. > Make your web apps faster with AppDynamics > Download AppDynamics Lite for free today: > http://p.sf.net/sfu/appdyn_sfd2d_oct > ___ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > -- Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct ___ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
Re: [Open Babel] Lucifox - chemistry in EPUB ebooks in Firefox?
Yes, which one? Noel O'Boyle wrote: >Probably a javascript molecular viewer. > >On 22 October 2012 09:04, Haakon Meland Eriksen >wrote: >> Lucifox is a free (as in freedom) EPUB reader addon for Firefox, >> currently supporting OPDS for distribution, SVG and in the upcoming >> version - MathML - both in EPUB 3 and 2 formatted ebooks. >> >> What would be the best free software approach to extend Lucifox to >> display molecules and what not in EPUB ebooks? >> >> Cheers, >> Haakon >> >> >> >-- >> Everyone hates slow websites. So do we. >> Make your web apps faster with AppDynamics >> Download AppDynamics Lite for free today: >> http://p.sf.net/sfu/appdyn_sfd2d_oct >> ___ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss -- Sent from my Android phone with K-9 Mail. Please excuse my brevity.-- Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct___ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
