Re: [ccp4bb] FW: [ccp4bb] [3dem] Which resolution?

2020-02-17 Thread Nave, Colin (DLSLtd,RAL,LSCI)
Sent: 17 February 2020 16:36 To: Nave, Colin (DLSLtd,RAL,LSCI) Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] FW: [ccp4bb] [3dem] Which resolution? Hi Colin, Neutrons are applied to the uranyl hydrides so as to make their scattering lengths much more equal than with X-rays, and so side step

Re: [ccp4bb] [3dem] Which resolution?

2020-02-20 Thread Nave, Colin (DLSLtd,RAL,LSCI)
Dear all, I have received a request to clarify what I mean by threshold in my contribution of 17 Feb below and then post the clarification on CCP4BB. Being a loyal (but very sporadic) CCP4BBer I am now doing this. My musings in this thread are as much auto-didactic as didactic. In other words I

Re: [ccp4bb] [3dem] Which resolution?

2020-02-20 Thread Nave, Colin (DLSLtd,RAL,LSCI)
2019 CCP4 study weekend paper Regards Colin From: Randy Read Sent: 20 February 2020 11:45 To: Nave, Colin (DLSLtd,RAL,LSCI) Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] [3dem] Which resolution? Dear Colin, Over the last few years we've been implementing measures of information ga

Re: [ccp4bb] [3dem] Which resolution?

2020-02-22 Thread Nave, Colin (DLSLtd,RAL,LSCI)
Alexis This is a very useful summary. You say you were not convinced by Marin's derivation in 2005. Are you convinced now and, if not, why? My interest in this is that the FSC with half bit thresholds have the danger of being adopted elsewhere because they are becoming standard for protein str

Re: [ccp4bb] [3dem] Which resolution?

2020-02-27 Thread Nave, Colin (DLSLtd,RAL,LSCI)
To: CCP4BB@JISCMAIL.AC.UK Cc: Nave, Colin (DLSLtd,RAL,LSCI) Subject: Re: [ccp4bb] [3dem] Which resolution? In my opinion the threshold should be zero bits. Yes, this is where CC1/2 = 0 (or FSC = 0). If there is correlation then there is information, and why throw out information if there is

Re: [ccp4bb] [3dem] Which resolution?

2020-03-12 Thread Nave, Colin (DLSLtd,RAL,LSCI)
ome conditions, my proposed thresholds behave similarly to Marin's 1/2-bit-based curve, which convinces me further that Marin really is onto something. To re-iterate: the choice of target SNR (or information content) is independent of the choice of SNR estimator and of statistical testing fram

Re: [ccp4bb] AlphaFold: more thinking and less pipetting (?)

2020-12-04 Thread Nave, Colin (DLSLtd,RAL,LSCI)
The subject line for Isabel's email is very good. I do have a question (more a request) for the more computer scientist oriented people. I think it is relevant for where this technology will be going. It comes from trying to understand whether problems addressed by Alpha are NP, NP hard, NP com

Re: [ccp4bb] External: Re: [ccp4bb] AlphaFold: more thinking and less pipetting (?)

2020-12-04 Thread Nave, Colin (DLSLtd,RAL,LSCI)
e to the prediction. The networks used here are humongous and a detailed look at the weights (if at all feasible) may point us in the right direction. From: CCP4 bulletin board mailto:CCP4BB@JISCMAIL.AC.UK>> On Behalf Of Nave, Colin (DLSLtd,RAL,LSCI) Sent: December 4, 2020 9

Re: [ccp4bb] seek your opion on this weird diffractio pattern

2020-12-08 Thread Nave, Colin (DLSLtd,RAL,LSCI)
Hi Joseph Great diffraction patterns. As Jon has just said, it could be zinc acetate. There are some very strong spots which would be consistent with a single crystal of this. However, something else seems to be present. Could it instead be PEG crystals with some superlattice repeat? For unit cel

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-14 Thread Nave, Colin (DLSLtd,RAL,LSCI)
Dear Gerard, Marina and others. I agree that using a multi-axis goniostat is one way of separating the spots. Also that the separation of spots provided by the spatial resolution of the detector is often much better than the separation you could get from even very fine-sliced images. However, i

Re: [ccp4bb] AI papers in experimental macromolecular structure determination

2021-08-04 Thread Nave, Colin (DLSLtd,RAL,LSCI)
Bernhard What qualifies? Good question. There are plenty of books on AI/machine learning but, as always, it is more efficient/lazier to read reviews than the books themselves. I think the London Review of Books allows limited access to its articles so most should be able to read this https://ww

Re: [ccp4bb] am I doing this right?

2021-10-17 Thread Nave, Colin (DLSLtd,RAL,LSCI)
Hi James For the case under consideration, isn't the gamma distribution the maximum entropy prior i.e. a default with minimum information content. Colin -Original Message- From: CCP4 bulletin board On Behalf Of James Holton Sent: 17 October 2021 18:25 To: CCP4BB@JISCMAIL.AC.UK Subject:

Re: [ccp4bb] am I doing this right?

2021-10-21 Thread Nave, Colin (DLSLtd,RAL,LSCI)
Congratulations to James for starting this interesting discussion. For those who are like me, nowhere near a black belt in statistics, the thread has included a number of distributions. I have had to look up where these apply and investigate their properties. As an example, “The Poisson distrib

Re: [ccp4bb] Another folding AI

2022-11-05 Thread Nave, Colin (DLSLtd,RAL,LSCI)
There is another quote from an equally revered physicist – James Clark Maxwell “The actual science of logic is conversant at present only with things either certain, impossible, or entirely doubtful, none of which (fortunately) we have to reason on. Therefore the true logic for this world is the

Re: [ccp4bb] Another folding AI

2022-11-06 Thread Nave, Colin (DLSLtd,RAL,LSCI)
All these quotes are great fun and worth keeping in mind, along with many others. I hadn’t realised that the creationists had adopted James Clark Maxwell as one of their own. However he didn’t go as far as one present day scientist who believes the earth is no more than 10,000 years old. Which d

Re: [ccp4bb] Another folding AI

2022-11-07 Thread Nave, Colin (DLSLtd,RAL,LSCI)
, and (probably most of all) wishful thinking. https://www.charlespetzold.com/etc/MaxwellMoleculesAndEvolution.html Cheers -- Ian On Sun, 6 Nov 2022 at 20:13, Nave, Colin (DLSLtd,RAL,LSCI) <64fdcfc6624b-dmarc-requ...@jiscmail.ac.uk<mailto:64fdcfc6624b-dmarc-requ...@jiscmail.ac.uk>

Re: [ccp4bb] Another folding AI

2022-11-07 Thread Nave, Colin (DLSLtd,RAL,LSCI)
://utw10426.utweb.utexas.edu/Topics/Models/Text.html though of course there are many other sources Still all good fun to discuss. Colin From: Carter, Charlie Sent: 06 November 2022 21:19 To: Nave, Colin (DLSLtd,RAL,LSCI) Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] Another folding AI