[Open Babel] SDF tag

2012-08-02 Thread Altyr
Hi all, I'm a beginner with openbabel and I want to know how to have tag in a SDF file. I read the doc but I have not found what I was looking for. Do I have to add it myself or there is a way to have them automatically (especially the unique ID)? Thanks -- View this message in context:

Re: [Open Babel] SDF tag

2012-08-02 Thread Chris Morley
On 02/08/2012 10:17, Altyr wrote: Hi all, I'm a beginner with openbabel and I want to know how to have tag in a SDF file. I read the doc but I have not found what I was looking for. Do I have to add it myself or there is a way to have them automatically (especially the unique ID)? The file

Re: [Open Babel] Adding hydrogens in right order

2012-08-02 Thread My Th
O , 2012-07-31 17:12 +0400, Чугунов Антон rakstīja: Dear open babel users, I'm adding hydrogens in python script using pep.OBMol.AddHydrogens(False, True, 7) function (where pep is pybel molecule). But after saving this to PDB file I've got a problem: all hydrogens are written AFTER all heavy