Re: [PyMOL] Python from PyMOL or PyMOL from Python?

2015-08-14 Thread David Hall
I vastly prefer calling the python program from pymol You can call any python program using pymol as: pymol -r program.py — arg1 arg2 arg3 Or, my full preferred method is: pymol -qrck program.py — arg1 arg2 arg3 These make it quieter, stay on the command line, and not read the .pymolrc file

[PyMOL] hiding unreal bonds

2015-08-14 Thread Andrew Schaub
Is there a way to hide unreal bonds? I have a ligand with an oxetane I'm aware that pymol will estimate bonds. I tried to use unfuse and remove_picked but because they're not real bonds I can't select them or unfuse them. [image: Displaying Screen Shot 2015-08-14 at 3.32.15 PM.png]

Re: [PyMOL] hiding unreal bonds

2015-08-14 Thread João M . Damas
Have you tried unbond? http://www.pymolwiki.org/index.php/Unbond Cheers On Fri, Aug 14, 2015 at 11:38 PM, Andrew Schaub asch...@uci.edu wrote: Is there a way to hide unreal bonds? I have a ligand with an oxetane I'm aware that pymol will estimate bonds. I tried to use unfuse and

[PyMOL] Python from PyMOL or PyMOL from Python?

2015-08-14 Thread Dirk Kostrewa
Dear PyMOLers, I want to modify atomic coordinates in a python program and make pictures with PyMOL for making a movie. In your experience, is it better to call the python program from PyMOL or to call PyMOL from the python program? And could you please give me any good pointer for your