Re: [ccp4bb] new PDB file format

2023-04-01 Thread Sweet, Robert
Knowing the author as I do, I checked the date and time, and wasn't fooled. From: CCP4 bulletin board on behalf of Carter, Charlie Sent: Saturday, April 1, 2023 4:06 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] new PDB file format I fell for this

Re: [ccp4bb] new PDB file format

2023-04-01 Thread Carter, Charlie
I fell for this momentarily, hence compliments to James. I was fooled by the absolutely sensible intro. Charlie > On Apr 1, 2023, at 12:34 AM, James Holton wrote: > > Anyone who has ever had to lecture a student for writing their unit cell > lengths to dozens of decimal places is going to

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,

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 >

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

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
When I tested alpha fold on some of my proteins, it failed to predict the intramolecular interactions needed for their functions. Alphafold predicts the folds and overall structure of single domain and may be simple multi domain proteins but when conformational changes are needed for protein

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

Re: [ccp4bb] new PDB file format

2023-04-01 Thread Goldman, Adrian
And the good thing is we won’t be needed any more! - as alphafold structures will be just as good! ;) Adrian Sent from my iPhone On 1 Apr 2023, at 18:06, Kolenko, Petr <9d229ba2f5a3-dmarc-requ...@jiscmail.ac.uk> wrote:  Dear James, what a great step forward! I see another point. In our

Re: [ccp4bb] new PDB file format

2023-04-01 Thread Kolenko, Petr
Dear James, what a great step forward! I see another point. In our programs, the coordinates will no longer need to be floats, doubles or whatever. They can easily be integers! I believe that this will dramatically speed up the process of refinement.  Best regards, Petr

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,

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

[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

Re: [ccp4bb] new PDB file format

2023-04-01 Thread CCP4BB
My suspicions were raised when a post by James to this BB didn't run to several pages... Harry -- Dr Harry Powell > On 1 Apr 2023, at 08:14, Eleanor Dodson > <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > > Ha ha! > >> On Sat, 1 Apr 2023 at 05:34, James Holton wrote: >> Anyone who

Re: [ccp4bb] new PDB file format

2023-04-01 Thread Eleanor Dodson
Ha ha! On Sat, 1 Apr 2023 at 05:34, James Holton wrote: > Anyone who has ever had to lecture a student for writing their unit cell > lengths to dozens of decimal places is going to love the new PDB > format. It is more compact, more realistic, and less misleading to the > poor, downstream