Thanks! I'll try as soon as I have a minute. In the meantime, wouldn't be simpler to add this line
_obconv = ob.OBConversion() somewhere in openbabel.py and remove the need to mention this gotcha? Best! S On 04/14/2015 12:03 PM, Noel O'Boyle wrote: > You can fork the docs on github: https://github.com/openbabel/documentation > > It would be SUPER AWESOME if you contributed. Some of the existing > documentation was written by me trying to figure out what the software > did. But now I know too much to remember what's it like for someone > "newer" to Open Babel. > > Regards, > - Noel > > On 14 April 2015 at 18:42, Stefano Forli <fo...@scripps.edu> wrote: >> Thanks for the reply! >> >> I've realized I've asked a lot of questions about several aspects of the >> Python module in both Dev and Users list, that were related to details not >> much covered in the documentation. >> I'm wondering if there's a way to contribute back and add all this >> information somewhere >> in the web pages. >> >> S >> >> >> On 04/14/2015 03:14 AM, Noel O'Boyle wrote: >>> >>> It's true. To trigger plugin detection you need to make an >>> obconversion object. This is a gotcha. Pybel does this on import. >>> >>> - Noel >>> >>> On 13 April 2015 at 23:12, Stefano Forli <fo...@scripps.edu> wrote: >>>> >>>> Hi all, >>>> I was debugging my Python code and I found a behavior that doesn't make >>>> much >>>> sense to me unless I'm missing something. >>>> >>>> Apparently, available forcefields are not found unless an OBConversion >>>> instance is created. I've made up an example by borrowing some code from >>>> Pybel, see attached. >>>> >>>> In fact, I've noticed that Pybel does indeed create an instance of it >>>> very >>>> early, so I'm wondering if there's an underlying reason for that. >>>> Thanks, >>>> >>>> S >>>> >>>> -- >>>> Stefano Forli, PhD >>>> >>>> Staff Scientist >>>> Molecular Graphics Laboratory >>>> Dept. of Integrative Structural >>>> and Computational Biology, MB-112F >>>> The Scripps Research Institute >>>> 10550 North Torrey Pines Road >>>> La Jolla, CA 92037-1000, USA. >>>> >>>> tel: +1 (858)784-2055 >>>> fax: +1 (858)784-2860 >>>> email: fo...@scripps.edu >>>> http://www.scripps.edu/~forli/ >>>> >>>> >>>> ------------------------------------------------------------------------------ >>>> BPM Camp - Free Virtual Workshop May 6th at 10am PDT/1PM EDT >>>> Develop your own process in accordance with the BPMN 2 standard >>>> Learn Process modeling best practices with Bonita BPM through live >>>> exercises >>>> http://www.bonitasoft.com/be-part-of-it/events/bpm-camp-virtual- >>>> event?utm_ >>>> source=Sourceforge_BPM_Camp_5_6_15&utm_medium=email&utm_campaign=VA_SF >>>> _______________________________________________ >>>> OpenBabel-Devel mailing list >>>> OpenBabel-Devel@lists.sourceforge.net >>>> https://lists.sourceforge.net/lists/listinfo/openbabel-devel >>>> >> >> -- >> Stefano Forli, PhD >> >> Staff Scientist >> Molecular Graphics Laboratory >> Dept. of Integrative Structural >> and Computational Biology, MB-112F >> The Scripps Research Institute >> 10550 North Torrey Pines Road >> La Jolla, CA 92037-1000, USA. >> >> tel: +1 (858)784-2055 >> fax: +1 (858)784-2860 >> email: fo...@scripps.edu >> http://www.scripps.edu/~forli/ -- Stefano Forli, PhD Staff Scientist Molecular Graphics Laboratory Dept. of Integrative Structural and Computational Biology, MB-112F The Scripps Research Institute 10550 North Torrey Pines Road La Jolla, CA 92037-1000, USA. tel: +1 (858)784-2055 fax: +1 (858)784-2860 email: fo...@scripps.edu http://www.scripps.edu/~forli/ ------------------------------------------------------------------------------ BPM Camp - Free Virtual Workshop May 6th at 10am PDT/1PM EDT Develop your own process in accordance with the BPMN 2 standard Learn Process modeling best practices with Bonita BPM through live exercises http://www.bonitasoft.com/be-part-of-it/events/bpm-camp-virtual- event?utm_ source=Sourceforge_BPM_Camp_5_6_15&utm_medium=email&utm_campaign=VA_SF _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
