Date: Sun, 8 May 2016 19:35:30 -0700
> From: "Brendan M. O'Boyle" <bmobo...@caltech.edu>
> Subject: [Open Babel] Question about file conversion
> To: <openbabel-discuss@lists.sourceforge.net>
> Message-ID: <a8e4db38-24e6-4106-b671-b5708b168...@caltech.edu&
Hi,
That is a wild guess, since you gave us near to zero information, but what
is the first line of your .smi file? If it's not valid smiles, then the
reader will give up, since it has finish reading the file on first line.
Valid smiles file is: "smiles string, white-space and name", like
Hello,
I am trying to use OpenBabel and iBabel to convert SMILES strings into sdf
files for manipulation with Schrodinger software.
I installed the OpenBabel first and then I am using iBabel. I put in the
SMILES string under the convert header and then use that to prepare an sdf file.
