Re: [PyMOL] Show cation-pi/pi-pi interactions

2014-08-13 Thread Markus Heller
Hi Jared, Thanks for your reply. I was aware of the distance command (polar contacts). The pseudo atom solution could work, but to be honest, I'd prefer a solution that would detect these interactions. I've found InteractionDetector.py (https://github.com/Pymol-Scripts/Pymol-script-repo/blob

Re: [PyMOL] Show cation-pi/pi-pi interactions

2014-08-13 Thread Sampson, Jared
Hi Markus - It’s already possible to highlight polar interactions using the `distance` command with mode=2. http://www.pymolwiki.org/index.php/Distance For pi-cation stacking, it might be useful to create pseudo atoms at the average position of the atoms in each charged group or ring in questi

[PyMOL] Show cation-pi/pi-pi interactions

2014-08-13 Thread Markus Heller
Hello, There's a thread in the PyMol Wiki (http://www.pymolwiki.org/index.php/Ideas) that mentions the possible implementation of functionality to highlight H-bonds, salt bridges, Pi-stacking, Pi-cations. Has such a thing been implemented yet, and if not, what's the current status? Thanks and