Hi,
I am hoping to convert a number of molecules in a .smi file to a single .png
file with all of the structures displayed:
# Para_Series.smi
NC(C1=C(NC(C2=CC=CN=C2)=O)SC(NC3=CC=C(C(C)(C)C)C=C3)=N1)=O STF_1557
NC(C1=C(NC(C2=CC=CN=C2)=O)SC(NC3=CC=C(C(C)C)C=C3)=N1)=O STF_1558
c1ncccc1C(=O)Nc(c2C(=O)N)sc(n2)Nc3ccc(Br)cc3 STF_664
c1ccncc1C(=O)Nc2c(C(=O)N)nc(s2)Nc3ccc(OC)cc3 STF_1280
# using:
obabel Para_Series.smi -xp 4800 -xr 2 -xc 2 -xt -O Para_Series.png
Is it possible to have the title (e.g. STF_1557) displayed with the molecule? I
can't seem to find the documentation to do this.
Something like works fine, but I would like to be able to do it in batch.
obabel -:"O=C(O)c1ccccc1OC(=O)C aspirin"
-opng
Cheers,
John
***********************************
John Bruning, Post-Doctoral Scholar
Stanford University, Glenn Lab
CCSR Building, #3110
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