Re: [Open Babel] converting many smiles to many mol

2023-04-17 Thread Geoffrey Hutchison
> > obabel -i smi test.smi -o mol --gen3d -m > but it put them all in one .mol , is there a way to split them in as many > smiles as there are molecules? > I’m not sure what you want it to do. Because you didn’t specify a filename / pattern to use for output, it has to output in the standard

[Open Babel] converting many smiles to many mol

2023-04-17 Thread Mohammad Goodarzi
hello guys, I have a bunch of smiles and I am trying to convert them to mol the file that I have has 1000 smiles as an example 4 molecules NC1=CN(N=C(C2=CC(CN(C(C)C3CC3)C4=O)=C4C(C)=C2)C=C5)C5=N1 O=C1N([C@@H](C)C2CC2)CC3=C1C(C)=CC(C(C=C4)=NN5C4=NC(NC(C)=O)=C5)=C3