Hi,
Using Open Babel 2.3.2 (Linux), I'm able to convert the smiles of
indometacin
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O indometacin
into sdf or mol2, but not from mol2 to an other format (tried smi, sdf,
mol2, pdb) (the mol2 file being produced with Sybyl or obabel
obabel indometacin.smi -O indometacin.mol2 )
So
obabel indometacin.mol2 -O indometacin.smi
is only giving:
Segmentation fault
Conversion of some other tested mol2 files is OK.
And when reducing the structure to
c1c(c2cc(ccc2n1C))
it's still seg. fault (smi --> mol2 OK, mol2 --> sdf = error)
but
c1c(c2cc(ccc2n1))
is well converted to mol2 and then to sdf.
Does it happen to someone else?
Best regards,
Pascal
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