Boyle
Cc: Renslow, Ryan S; openbabel-discuss@lists.sourceforge.net
Subject: Re: [Open Babel] pybel/openbabel and use of confab
> The operations are aimed at use from the command-line and so I would
> recommend using Python's subprocess.
Well, I think you can employ them in Python d
tions can
> do this.
>
> Cheers,
> Ryan
>
> -Original Message-
> From: Geoffrey Hutchison [mailto:geoff.hutchi...@gmail.com]
> Sent: Wednesday, February 25, 2015 3:24 PM
> To: Noel O'Boyle
> Cc: Renslow, Ryan S; openbabel-discuss@lists.sourceforge.net
> Sub
> The operations are aimed at use from the command-line and so I would
> recommend using Python's subprocess.
Well, I think you can employ them in Python directly. This is untested, but
something like this would work:
>> confab = openbabel.OBOp.FindType("confab")
>> confab.Do(myOBMol, "options")
(ccing to openbabel-discuss)
Hi Ryan,
The operations are aimed at use from the command-line and so I would
recommend using Python's subprocess. Otherwise, the only way to set
the options is to use an OBConversion object and set GENOPTION
"confab" as well as whatever other options apply. This isn'
