Re: [ccp4bb] Structure prediction - waiting to happen

2023-05-05 Thread Bryan Lepore
A quote comes to mind (I cannot resist) : "Now, my own suspicion is that the universe is not only queerer than we suppose, but queerer than we can suppose [...]" -J. B. S. Haldane "Possible Worlds" in Possible Worlds and Other Essays (1927), p. 286 ###

Re: [ccp4bb] Structure prediction - waiting to happen

2023-05-05 Thread Natesh Ramanathan
I absolutely agree with Guenter. This non experts speaking wrong things is increasingly happening nowadays. Thanks Guenter, for pointing this out. A theory unless it is given experimental data derived evidence it is still a prediction (just like weather prediction, unless it is realised in the p

Re: [ccp4bb] Structure prediction - waiting to happen

2023-05-05 Thread Jan Dohnalek
We are getting the same feeling from discussions with (non-structural) biologists around us. I also agree that AlphaFold models are a great tool but they do not tell everything and cannot exactly replace experiments. Is the development mainly in the hands of journals' reviewers...? Best, Jan O

Re: [ccp4bb] Structure prediction - waiting to happen

2023-05-05 Thread Guenter Fritz
Dear all, taking AlphaFold models for " true" experimental structures seems to become a serious problem. I am just returning from a meeting (not a structural biology meeting) and saw one model after other. And the non-structural biologist used terms like "we calculated a structure"  or "a Alph

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-15 Thread SHEPARD William
Dear James, I love your Star Trek Transporter analogy! "Beam me up Scotty..." Oops! Cheers, Bill From: "James Holton" To: "CCP4BB" Sent: Saturday, 15 April, 2023 01:28:35 Subject: Re: [ccp4bb] Structure prediction - waiting to happen Very sorry to he

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-14 Thread James Holton
Very sorry to hear about your grant. I've been there. It is crushing to be rejected, and frustrating when the reason given is ... wrong. My journalist friends wonder why scientists don't like talking to journalists. This is why.  I remember when the first results from XFELs were published, and

[ccp4bb] Structure prediction - waiting to happen

2023-04-03 Thread Quyen Hoang
g > Sent: Sunday, April 2, 2023 10:20 AM > To: CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> > Subject: Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting > to happen > > EXTERNAL EMAIL: This e-mail is from a sender outside of the UTEP system. Do > not clic

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-03 Thread Xiao, Chuan
Subject: Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen EXTERNAL EMAIL: This e-mail is from a sender outside of the UTEP system. Do not click any links or open any attachments unless you trust the sender and know the content is safe. Please forward suspicious

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Quyen Hoang
letin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Eugene Valkov <eugene.val...@gmail.com> Sent: Sunday, April 2, 2023 10:10 AM To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> Subject: Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen   Predicted stru

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Eugene Valkov
ructures. > That’s more damaging than helpful. > > > -- > *From:* CCP4 bulletin board on behalf of Eugene > Valkov > *Sent:* Sunday, April 2, 2023 10:10 AM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] [External] Re: [ccp4bb] Structur

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread jacinto.ls
M *To:* CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> *Subject:* [External] Re: [ccp4bb] Structure prediction - waiting to happen All, the first hurdle will of course be whether the AlphaFold model works as a MR model, even with the 100% completeness and sequen

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Srivastava, Dhiraj
, 2023 10:10 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen Predicted structures lack the precision and accuracy of experimentally-determined structures at high resolution with all the benefits of unbiased co-discovery of

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Eugene Valkov
e.com/articles/s41401-022-00938-y > > -- > *From:* CCP4 bulletin board > on behalf of Ian Tickle > > *Sent:* Sunday, April 2, 2023 8:28 AM > *To:* CCP4BB@JISCMAIL.AC.UK > > *Subject:* [External] Re: [ccp4bb] Structure prediction - waiting to &g

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread jacinto.ls
prediction - waiting to happen All, the first hurdle will of course be whether the AlphaFold model works as a MR model, even with the 100% completeness and sequence identity of a bespoke model.  The question is what B factors to use or which disordered bits to leave out, as that can strongly

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Srivastava, Dhiraj
: CCP4BB@JISCMAIL.AC.UK Subject: [External] Re: [ccp4bb] Structure prediction - waiting to happen All, the first hurdle will of course be whether the AlphaFold model works as a MR model, even with the 100% completeness and sequence identity of a bespoke model. The question is what B factors to

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Srivastava, Dhiraj
variability, and most of the systematic studies often exclude these tricky cases. From: CCP4 bulletin board on behalf of Ian Tickle Sent: Sunday, April 2, 2023 8:28 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [External] Re: [ccp4bb] Structure prediction - waiting to

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Luca Jovine
cture prediction - waiting to happen All, the first hurdle will of course be whether the AlphaFold model works as a MR model, even with the 100% completeness and sequence identity of a bespoke model. The question is what B factors to use or which disordered bits to leave out, as that can str

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Ian Tickle
All, the first hurdle will of course be whether the AlphaFold model works as a MR model, even with the 100% completeness and sequence identity of a bespoke model. The question is what B factors to use or which disordered bits to leave out, as that can strongly influence the result (perhaps use inf

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-02 Thread Gerard Bricogne
Dear all, I think that quoting general viewpoints and statements, however knowledgeable and respected their authors may be, will only exacerbate the climate of clashing prejudices between two camps and is bound to sustain a war of opinions rather than lead to a rational acceptance that someth

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Goldman, Adrian
I think this is all true - and I’ve been putting things like this into my (failing) grants - but I get the dispiriting sense that the medics think (to borrow a line from hamlet) “the applicant doth protest too much methinks”. Well if as per James H today ;), we deposit coordinates to 1sf, alpha

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Randy John Read
There’s also this preprint with Tom Terwilliger as lead author: https://www.biorxiv.org/content/10.1101/2022.11.21.517405v1. The title is “AlphaFold predictions: great hypotheses but no match for experiment”. Best wishes, Randy > On 1 Apr 2023, at 18:18, Savvas Savvides > <9d24f7f13e09-dm

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Savvas Savvides
Dear Rams, I salute you for sharing this. Just a week ago, I also received a remark along these lines on a declined grant application. The remark was the only unfavourable point, which suggested that it must have weighed disproportionally towards the negative outcome. This was a two-stage eval

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Jurgen Bosch
I was afraid of this happening at some point and decided to start a new career ~ten years ago and use structures only as a tool and never put them into the centerpiece of a grant. My fall back option is either a cocktail bar or starting a restaurant. The Triple M’s always work Mojito, Martini,

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Srivastava, Dhiraj
alphafold can replace the need for experimental data. Dhiraj From: CCP4 bulletin board on behalf of Ian Tickle Sent: Saturday, April 1, 2023 9:46 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [External] Re: [ccp4bb] Structure prediction - waiting to happen Hi

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Dale Tronrud
Hi, Just ask ChatGPT to write it for you! Dale Tronrud On 4/1/2023 5:06 AM, Subramanian, Ramaswamy wrote: Dear All, I am unsure if all other groups will get it - but I am sure this group will understand the frustration. My NIH grant did not get funded.  A few genuine comments - they m

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Subramanian, Ramaswamy
Ian, Thank you. This is not an April fools.. Rams subra...@purdue.edu On Apr 1, 2023, at 10:46 AM, Ian Tickle wrote: External Email: Use caution with attachments, links, or sharing data Hi Ramaswamy I assume this is an April Fool's but it's still a serious question because many

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Ian Tickle
Hi Ramaswamy I assume this is an April Fool's but it's still a serious question because many reviewers who are not crystallographers or electron microscopists may not fully appreciate the difference currently between the precision of structures obtained by experimental and predictive methods, thou

Re: [ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Bryan Lepore
" Is there a canned consensus paragraph that one can add with references to grants " How about: “In general we look for a new law by the following process. First we guess it. Then we compute the consequences of the guess to see what would be implied if this law that we guessed is right. Then w

[ccp4bb] Structure prediction - waiting to happen

2023-04-01 Thread Subramanian, Ramaswamy
Dear All, I am unsure if all other groups will get it - but I am sure this group will understand the frustration. My NIH grant did not get funded. A few genuine comments - they make excellent sense. We will fix that. One major comment is, “Structures can be predicted by alpfafold and other