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
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 =
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
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 picture
