Re: [PyMOL] Stacking Interactions

2015-11-09 Thread Albert
I think the major concern is how Pymol depicts the pi-pi stacking Of course we can identify such interaction immediately as soon as we open the system in Pymol. However there is no any components to indicate this, eg: we can depict the H-bond with a dash between two atoms but how could pi

Re: [PyMOL] Stacking Interactions

2015-11-09 Thread Osvaldo Martin
Hi Amali, I am not aware that PyMOL has this feature implemented out-of-the-box. Nevertheless this can be done with PyMOL. A crude approximation will be to measure the distance between the center of aromatic rings and consider a pi-pi stacking for distances shorter than a threshold value. A better

[PyMOL] Stacking Interactions

2015-11-09 Thread Amali Guruge
Dear all, I want to know can we identify p-p stacking interactions using PyMOL? Can anyone help me? Thank you in advance. -- ___ PyMOL-users mailing list (PyMOL-users@lists.sou

Re: [PyMOL] Using Python 3.4.3 Shell

2015-11-09 Thread Justin Lecher
On 09/11/15 09:05, Tom Aharoni wrote: > Hey :) > > I would like to work with pymol commands such as > cmd.distance() etc using Python 3.4.3 Shell. > > However when I try "import pymol" i get this message: > > Traceback (most recent call last): > File "", line 1, in > import pymol > Impo

[PyMOL] Using Python 3.4.3 Shell

2015-11-09 Thread Tom Aharoni
Hey :) I would like to work with pymol commands such as cmd.distance() etc using Python 3.4.3 Shell. However when I try "import pymol" i get this message: Traceback (most recent call last): File "", line 1, in import pymol ImportError: No module named 'pymol' I would very appreciate your