Hello, I was wondering if someone could help me screen for which molecules are being found within the inside of a protein channel / near the protein channel. I know I can search for the molecules within 3.5 A of the protein, but this also results in finding the ones on the outside. I know this is pretty specific and might be difficult to do, but it would increase our accuracy a bunch because at the moment we are hand picking which water molecules "seem" to be close to the channel and our numbers are very inconsistent. Here is the current code we are using: https://pastebin.com/1iBZ7rKi <https://signaldomn.online/click?redirect=https%3A%2F%2Fpastebin.com%2F1iBZ7rKi&dID=1616175096424&linkName=https://pastebin.com/1iBZ7rKi>
Best, Jason M.
_______________________________________________ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
