Re: [Rdkit-discuss] Draw.MolToFile catch programm termination

ogram. Attached is > the drawing of how we think the mol files should look. > > > > Best Rüdiger > > > > *Von:* David Cosgrove > *Gesendet:* Montag, 5. September 2022 12:04 > *An:* Rüdiger Lang > *Cc:* rdkit-discuss@lists.sourceforge.net > *Betreff:* Re: [Rd

Re: [Rdkit-discuss] Draw.MolToFile catch programm termination

g mailto:r.l...@abcr.com>> Cc: rdkit-discuss@lists.sourceforge.net<mailto:rdkit-discuss@lists.sourceforge.net> Betreff: Re: [Rdkit-discuss] Draw.MolToFile catch programm termination Hi Rüdiger, That file works fine for me using 2022.03.5. What version are you using? Also, I note that your

Re: [Rdkit-discuss] Draw.MolToFile catch programm termination

amstag, 3. September 2022 09:12 >> *An:* Rüdiger Lang >> *Cc:* rdkit-discuss@lists.sourceforge.net >> *Betreff:* Re: [Rdkit-discuss] Draw.MolToFile catch programm termination >> >> >> >> Hi Rüdiger, >> >> That file works fine for me usin

Re: [Rdkit-discuss] Draw.MolToFile catch programm termination

attached the wrong mol-file. Sorry for that. But now two files where it > actually does not work. > > > > Best Rüdiger > > > > *Von:* David Cosgrove > *Gesendet:* Samstag, 3. September 2022 09:12 > *An:* Rüdiger Lang > *Cc:* rdkit-discuss@lists.sourceforge.net

Re: [Rdkit-discuss] Draw.MolToFile catch programm termination

@lists.sourceforge.net Betreff: Re: [Rdkit-discuss] Draw.MolToFile catch programm termination Hi Rüdiger, That file works fine for me using 2022.03.5. What version are you using? Also, I note that your script reads 191131.mol, but the one you have provided is 191133.mol. Can you check

Re: [Rdkit-discuss] Draw.MolToFile catch programm termination

Hi Rüdiger, That file works fine for me using 2022.03.5. What version are you using? Also, I note that your script reads 191131.mol, but the one you have provided is 191133.mol. Can you check that this is the file that is causing the problem. Dave On Fri, Sep 2, 2022 at 1:40 PM Rüdiger Lang

Re: [Rdkit-discuss] Draw.MolToFile catch programm termination

Hi Rüdiger, It looks like it has exited rather than raising an exception. I would interpret that as it being very unimpressed with the molecule. I’ll take a look at it tomorrow morning. Dave On Fri, 2 Sep 2022 at 13:40, Rüdiger Lang wrote: > Hello everybody, > > > > I am trying to convert a

[Rdkit-discuss] Draw.MolToFile catch programm termination

Hello everybody, I am trying to convert a large amount of mol files to png. Some mol files cause the following error with "Draw.MolToFile": << Could not convert io integer: 3221225477. Path 'exitCode'. Der Wert für einen Int32 war zu groß oder klein. (The value for an Int32 was too large or