Re: [PyMOL] Starting PyMol in interactive IPython Session

2016-12-01 Thread Leonhard Heizinger
Hi Tsjerk, thanks for your reply! this was also my first guess. However it isn't a formatting issue: In [5]: print(cmd.get_coords("1xyz")[0,0]) 41.0 Also fetched structures look "teared" in cartoon representation, supposedly because of the wrong coordinates. Calling the internal function from

Re: [PyMOL] Starting PyMol in interactive IPython Session

2016-12-01 Thread Tsjerk Wassenaar
Hi Leonhard, I would guess it's the formatting setting of numpy in IPython. You can see what one float really is: print(cmd.get_coords("1xyz")[0,0]) Cheers, Tsjerk On Thu, Dec 1, 2016 at 1:40 PM, Leonhard Heizinger wrote: > I guess formatting didn't work out as i expected. So once again and

Re: [PyMOL] Starting PyMol in interactive IPython Session

2016-12-01 Thread Leonhard Heizinger
I guess formatting didn't work out as i expected. So once again and hopefully formatted: Hi! I stumbled upon some odd behavior when starting PyMol in an interactive IPython Session. PyMol can be launched from interactive IPython like this: In [1]: import pymol In [2]: from pymol import cmd In [

[PyMOL] Starting PyMol in interactive IPython Session

2016-12-01 Thread Leonhard Heizinger
Hi! I stumbled upon some odd behavior when starting PyMol in an interactive IPython Session. PyMol can be launched from interactive IPython like this: In [1]: import pymol In [2]: from pymol import cmd In [3]: pymol.finish_launching() In [4]: cmd.fetch("1xyz")So far, everything is normal. Howeve