[Open Babel] SDF tag

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: http://

[Open Babel] Gen3D troubles

Hi all ! I have some troubles with the --gen3D option. On some files, i have this warning : WARNING: damped steplength and i can't do anything else after. For ex: this is my line command :("obabel -ismi file.smi -osdf --gen3D") I work on Ubuntu, i compiled openbabel (for the last version) by myse

Re: [Open Babel] Gen3D troubles

Thanks for your answer and sorry for my late. In fact the output from open-babel are good. I tried to use the output from open-babel in order to find all the Rings, Links and side from a molecule and when i have this warning all my vector are empty. In the other hand, if i remove the --gen3D optio

[Open Babel] Write a .sdf file

Hi, I'm trying to write a .sdf file in order to use it with obabel. I read the ctfiles book from accelrys but i don't find the answer. For a blank line what should i put ? "\n" ? The same for the ctab, we have something like that x.y.z.. If i write 0. for x.,