Re: [Open Babel] Endless run for a particular SMILES

2015-10-22 Thread Geoffrey Hutchison
> I can reproduce this in 2.3.2. But it is fixed on the current (unreleased) > version of the code from github. Yes, I definitely need to push 2.4.0 out the door. This week, I'm pretty swamped with a grant proposal, but am aiming for November. -Geoff -

Re: [Open Babel] Endless run for a particular SMILES

2015-10-21 Thread Jeff Janes
On Tue, Oct 20, 2015 at 6:52 AM, Sebastien Moretti < sebastien.more...@unil.ch> wrote: > Hi > > I try to convert this SMILES string into a png file but openbabel (2.3.2 > Linux 64bits) never stops and produces nothing. > > CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H > ](

[Open Babel] Endless run for a particular SMILES

2015-10-21 Thread Sebastien Moretti
Hi I try to convert this SMILES string into a png file but openbabel (2.3.2 Linux 64bits) never stops and produces nothing. CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP([O-])(=O)OCC(COC(*)=O)OC(*)=O babel -ismiles SMILES_FILE -p 7.3 -opng