Re: [Open Babel] Compare 3D strucuture of molecules?

Hi, I'm trying to execute your command, byt this is what I got: == *** Open Babel Error in GetValues rmsd not recognized as a property or a descriptor 2012/10/4 Fredrik Wallner fred...@wallner.nu: Hi, You can get the RMSD between two conformers through the

Re: [Open Babel] Compare 3D strucuture of molecules?

Open Babel 2.3.90 -- Mar 19 2012 2012/10/4 Fredrik Wallner fred...@wallner.nu: Hi, What version of Open Babel are you using? Kind regards, Fredrik 4 okt 2012 kl. 12:32 skrev Андрей Гончар gontc...@gmail.com: Hi, I'm trying to execute your command, byt this is what I got:

Re: [Open Babel] OpenBabel to split multimol2 file but without changing bond types?

Have you tried copy output format? -ocopy Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl 2012/10/4 Juliette Pradon pra...@ccdc.cam.ac.uk Hello, I am using OpenBabel to split a multimol2 file into separate mol2 files (i.e. one mol2 file per compound). I use the

Re: [Open Babel] New plugin

On Wed, Oct 03, 2012 at 01:03:09PM -0700, Joaquin Peralta wrote: 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? Probably the

Re: [Open Babel] New plugin

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 rei4...@gmail.com wrote: On Wed, Oct 03, 2012 at 01:03:09PM -0700, Joaquin Peralta wrote: Hello, I did a plugin for openbabel, and check