Re: [Open Babel] Atom numbers again, this time from python

2013-06-05 Thread Dimitri Maziuk
On 06/05/2013 03:50 PM, Maciek Wójcikowski wrote: ... although I believe that 'b' : None should be 'b' : '' if you > wish to pass empty value, since None is reserved for options without value. Hehe. I wanted "b" : "none", actually (Geoff was right) and I didn't even notice myself until the pictur

Re: [Open Babel] Atom numbers again, this time from python

2013-06-05 Thread Dimitri Maziuk
On 06/05/2013 03:50 PM, Maciek Wójcikowski wrote: > There is an undocumented option in molecule.write() and .readfile() which > allows of passing options to reading/writing. You must pass opt with > dictionary of options. For line you gave: opt = {'b' : None, 'i' : None, > 'a' : None} although I be

Re: [Open Babel] Atom numbers again, this time from python

2013-06-05 Thread Geoffrey Hutchison
> All I can see in TFM is pybel.Molecule.addh() for "-h" -- is there way > to get to the rest? Specifically, "-xa" and "-xi", as I can > post-process the SVG to change the size and the background. These are output options in the Python openbabel module (not accessible from pybel, IIRC) conv = ob

Re: [Open Babel] Atom numbers again, this time from python

2013-06-05 Thread Maciek Wójcikowski
There is an undocumented option in molecule.write() and .readfile() which allows of passing options to reading/writing. You must pass opt with dictionary of options. For line you gave: opt = {'b' : None, 'i' : None, 'a' : None} although I believe that 'b' : None should be 'b' : '' if you wish to pa

[Open Babel] Atom numbers again, this time from python

2013-06-05 Thread Dimitri Maziuk
Hi everyone, one more python question: I'm trying to do obabel -h --canonical -xb none -xi -xa -xP1000 -osvg ... All I can see in TFM is pybel.Molecule.addh() for "-h" -- is there way to get to the rest? Specifically, "-xa" and "-xi", as I can post-process the SVG to change the size and the back