Re: [Open Babel] Write a .sdf file

2013-09-09 Thread Fredrik Wallner
Hi, I don't really understand why you would like to compose the sdfile yourself, but you could very well use openbabel itself to get some examples. Just run the command "obabel -ismi -:c1c1O -osdf" and you Will get an example file. To answer the questions more specificly, for blank lines, \

[Open Babel] Write a .sdf file

2013-09-09 Thread Altyr
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.,