Re: [ccp4bb] To Trim or Not to To Trim

2023-03-19 Thread Lijun Liu
Hi James:First of all, I think all those trim-or-not-to-trim practices are kind of compromises when the data did not really offer local density strong enough to model side chain reliably.  So many smart pioneers could not make a simple agreement, which means this science of art has the personality-

Re: [ccp4bb] To Trim or Not to To Trim

2023-03-19 Thread Lijun Liu
James:Sent from my iPhoneOn Mar 19, 2023, at 2:37 PM, James Holton wrote: They say one test is worth a thousand expert opinions, so I tried my hand at the former. The question is: what is the right way to treat disordered side chains?: a) omit atoms you cann

Re: [ccp4bb] To Trim or Not to To Trim

2023-03-19 Thread James Holton
They say one test is worth a thousand expert opinions, so I tried my hand at the former. The question is: what is the right way to treat disordered side chains?: a) omit atoms you cannot see b) build them, and set occupancy to zero c) build them, and "let the B factors take care of it" d) none o

Re: [ccp4bb] To Trim or Not to To Trim

2023-03-19 Thread Pietro Roversi
Dear all, well at least ChatGPT is still way off the heart of the matter and several steps behind some of the best views in the community. I asked it: Please write a paragraph on the subject: "10 things I hate about structural biology data deposition policy" It gave me this: "As an AI lang