Re: [Open Babel] New plugin

2012-10-04 Thread joaquin peralta
Thank you very much for the answer, I put that in the source-forge patch tracker. All the best Joaquin On Thu, Oct 4, 2012 at 11:11 AM, Reinis Danne wrote: > On Wed, Oct 03, 2012 at 01:03:09PM -0700, Joaquin Peralta wrote: > > Hello, > > > > I did a plugin for open

[Open Babel] New plugin

2012-10-03 Thread Joaquin Peralta
Hello, I did a plugin for openbabel, and check some examples that work fine. What do I have to do to include this in the repositories, just submit using subversion? Do I have to send to someone to test the plugin? Regards, Joaquin -- View this message in context: http://forums.openbabel.org/N

Re: [Open Babel] nuew plugin and multimolecules

2012-10-03 Thread Joaquin Peralta
I solve it. Was because the Flags() was without comments (//), I solve with : /* Flags() can return be any of the following combined by | or be omitted if none apply NOTREADABLE READONEONLY NOTWRITABLE WRITEONEONLY DEFAULTFORMAT READBINARY WRITEBINARY READXML ZEROATOMSOK

[Open Babel] nuew plugin and multimolecules

2012-09-28 Thread joaquin peralta
amp; !pConv->IsOption("b",OBConversion::INOPTIONS)) mol.PerceiveBondOrders(); mol.EndModify(); return true; } What could be the problem? On the other hand, when I feel confident with the plugin, I have to submit using subversion, or I'll need to e-mail this to someone? A

Re: [Open Babel] Problem with new plugin

2012-09-26 Thread joaquin peralta
from SVN and try to get that to build. There's no point > trying to write a plugin until you can successfully run Open Babel > from SVN. > > - Noel > > On 15 September 2012 00:08, joaquin peralta wrote: > > Hello, > > > > Before I put all the text, just allo

Re: [Open Babel] Problem with new plugin

2012-09-14 Thread joaquin peralta
ling in my home folder, and the PATH are well defined. I attached a file with all the detail, because is to much to put it in the e-mail (and probably unnecessary). Any hint about this segfault ? Thanks for your time. Regards Joaquin Peralta On Fri, Sep 14, 2012 at 4:03 PM, My Th wrote: >

[Open Babel] Format development, compilation and use.

2012-09-14 Thread joaquin peralta
the format is not available running with : babel -H XXX What could be the problem? Any help is welcome. Best Regards Joaquin Peralta -- Joaquín Peralta C. Postdoctoral Research Associate Materials Science and Engineering Iowa State University 3326 Hoover Hall Ames, IA 50011 Phone Lab: 515-294

Re: [Open Babel] Problem with new plugin

2012-09-14 Thread joaquin peralta
make: *** [test] Error 8 jperaltac@baco:~/buildob$ Any suggestion is welcome. All the best Joaquin On Fri, Sep 14, 2012 at 6:53 PM, My Th wrote: > Pk, 2012-09-14 18:08 -0500, joaquin peralta rakstīja: > > Hello, > &

Re: [Open Babel] Problem with new plugin

2012-09-14 Thread joaquin peralta
(core dumped) =========== that's it! Thanks for all the help, and sorry about the long e-mail. Regards Joaquin On Fri, Sep 14, 2012 at 5:45 PM, My Th wrote: > Pk, 2012-09-14 17:17 -0500, joaquin peralta rakstīja:

[Open Babel] Problem with new plugin

2012-09-14 Thread joaquin peralta
What could be the problem? Any help is welcome. Best Regards Joaquin Peralta -- Joaquín Peralta C. Postdoctoral Research Associate Materials Science and Engineering Iowa State University 3326 Hoover Hall Ames, IA 50011 Phone Lab: 515-294-9547 http://www.lpmd.cl/jperalta http://www.gnm.cl