Re: [PyMOL] Stacking Interactions

2015-11-10 Thread Matthew Baumgartner
What I've done before is to draw a line between two pseudo-atoms placed at the center of each ring. HTH, Matthew Baumgartner On 11/10/2015 02:08 AM, Albert wrote: I think the major concern is how Pymol depicts the pi-pi stacking Of course we can identify such interaction immediately as soo

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