Re: [ccp4bb] Introducing the UNTANGLE Challenge

2024-01-21 Thread James Holton
Thank you Herbert, Yes, I call tunneling the "conformer swap trick", and I provide a jiffy script for doing this. Swapping conformer letter assignments is equivalent to changing the color of the ropes at a certain distance down their length.  When you give this to the refinement program all th

Re: [ccp4bb] Introducing the UNTANGLE Challenge

2024-01-21 Thread Herbert J. Bernstein
Have you considered the impact of tunneling? Your rope crossings are not perfect barriers. On Sat, Jan 20, 2024 at 6:09 PM James Holton wrote: > Update: > > I've gotten some feedback asking for clarity on what I mean by "tangled". > I paste here a visual aid: > > > The protein chains in an ense