Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-16 Thread David Briggs
So, a bit like Fold-it but with actual data? :-D Dr David C Briggs PhD http://about.me/david_briggs On 16 May 2014 06:19, Pavel Afonine pafon...@gmail.com wrote: What about structures that are obviously wrong based on inspection of the density, but no one has bothered to challenge yet? The

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-16 Thread Joel Sussman
16-May-2014 Dear Patrick, Proteopedia [http://proteopedia.org] uses exactly the same style for referencing published material. Proteopedia allows for the easy insertion of Pubmed and DOI references by only requesting from the user to enter the Pubmed or DOI ids. We have extended the same

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-16 Thread Patrick Shaw Stewart
Hi Joel and Jaime - very nice to hear from you. I hope everything is going well in Rehovot. Proteopedia is the natural place to put comments etc. However it might look more natural if there was more info there in the first place - ie if people gave more explanation about the significance of

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Colin Nave
...@york.ac.uk To: CCP4BB@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK Sent: Wednesday, 14 May 2014, 14:28 Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone 249GB? That's a whole lot of DVDs! On 14 May 2014 14:08, MARTYN SYMMONS martainn_oshioma...@btinternet.commailto:martainn_oshioma

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Bärbel Blaum
Hello, I also agree that the right order of things would be the journals taking action (i.e. retracting and commenting on why), then informing the pdb which structures are associated with a retraction - for the simple reason that very likely many readers take conclusions in made-up

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Roger Rowlett
the coefficients, we can work out when the PDB takes over the present universe. This would be time to retire. Can anyone do this? Thanks Colin From: James Holton [mailto:jmhol...@lbl.gov] Sent: 14 May 2014 16:19 To: ccp4bb Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread MARTYN SYMMONS
. Perhaps this is the sort of thing that could work for structural data?   cheers  Martyn  From: Ethan A Merritt merr...@u.washington.edu To: CCP4BB@JISCMAIL.AC.UK Sent: Wednesday, 14 May 2014, 19:22 Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Zachary Wood
, 14 May 2014, 19:22 Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone On Wednesday, 14 May, 2014 13:52:02 Phil Jeffrey wrote: As long as it's just a Technical Comments section - an obvious concern would be the signal/noise in the comments themselves. I'm sure PDB would

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Tim Gruene
that could work for structural data? cheers Martyn From: Ethan A Merritt merr...@u.washington.edu To: CCP4BB@JISCMAIL.AC.UK Sent: Wednesday, 14 May 2014, 19:22 Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone On Wednesday, 14 May, 2014 13:52:02 Phil Jeffrey wrote: As long as it's

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Zachary Wood
for discussing the literature, is currently under testing. Perhaps this is the sort of thing that could work for structural data? cheers Martyn From: Ethan A Merritt merr...@u.washington.edu To: CCP4BB@JISCMAIL.AC.UK Sent: Wednesday, 14 May 2014, 19:22 Subject: Re: [ccp4bb] PDB passes

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Joel Sussman
A Merritt merr...@u.washington.edumailto:merr...@u.washington.edu To: CCP4BB@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK Sent: Wednesday, 14 May 2014, 19:22 Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone On Wednesday, 14 May, 2014 13:52:02 Phil Jeffrey wrote: As long as it's just

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread MARTYN SYMMONS
biological community.  all the best  Martyn     From: Zachary Wood z...@bmb.uga.edu To: CCP4BB@JISCMAIL.AC.UK Sent: Thursday, 15 May 2014, 14:47 Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone Adding to Tim’s comment, I would not expect a tremendous

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Jose Manuel Duarte
:22 *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone On Wednesday, 14 May, 2014 13:52:02 Phil Jeffrey wrote: As long as it's just a Technical Comments section - an obvious concern would be the signal/noise in the comments themselves. I'm sure PDB would not relish having to moderate

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Bernhard Rupp
@JISCMAIL.AC.UK] On Behalf Of Joel Sussman Sent: Donnerstag, 15. Mai 2014 16:01 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone 15-May-2014 Dear Martyn Proteopedia's (http://proteopedia.org) goal goes well beyond just education - it is aimed at Structural Biology

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Zachary Wood
A Merritt merr...@u.washington.edu To: CCP4BB@JISCMAIL.AC.UK Sent: Wednesday, 14 May 2014, 19:22 Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone On Wednesday, 14 May, 2014 13:52:02 Phil Jeffrey wrote: As long as it's just a Technical Comments section - an obvious concern would

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Patrick Shaw Stewart
*To:* CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone 15-May-2014 Dear Martyn Proteopedia's (*http://proteopedia.org http://proteopedia.org*) goal goes well beyond just education - it is aimed at Structural Biology and non Structural Biology Community

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Nat Echols
On Thu, May 15, 2014 at 9:53 AM, Patrick Shaw Stewart patr...@douglas.co.uk wrote: It seems to me that the Wikipedia mechanism works wonderfully well. One rule is that you can't make assertions yourself, only report pre-existing material that is attributable to a reliable published source.

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Zachary Wood
I agree with Nat. If you think a structure has a problem area, it is much easier to point it out to the users than to publish a rebuttal. Comments are easy. Simply state your observation. If you are wrong in your assessment, I am sure you will receive a fine education from the more learned

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Patrick Shaw Stewart
I may be missing something here, but I don't think you have to rebut anything. You simply report that someone else has rebutted it. Along the lines of Many scientists regard this published structure as unreliable since a misconduct investigation by the University of Alabama at Birmingham has

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Nat Echols
That is an extraordinary case, and it certainly took a huge amount of work. What about structures that are obviously wrong based on inspection of the density, but no one has bothered to challenge yet? The TWILIGHT database helps some, if that counts, but it doesn't catch everything. -Nat On

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Duarte Gamero Jose Manuel
of the feedback by the rest of the community would sort all problems out, provided there is enough participation. Jose -Original Message- From: CCP4 bulletin board on behalf of Zachary Wood Sent: Thu 5/15/2014 7:41 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] PDB passes 100,000

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Pavel Afonine
TWILIGHT database, PDBREDO database, ... what else I forgot to name? I wonder why it should be under different brands and names, and not just be where it belongs to - the PDB?! Back in 2005 when I (and colleagues) started re-refining the entire PDB (to test phenix.refine, mostly) and seeing

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-15 Thread Pavel Afonine
What about structures that are obviously wrong based on inspection of the density, but no one has bothered to challenge yet? The TWILIGHT database helps some, if that counts, but it doesn't catch everything. How about this utopia.. Imagine PDB has two versions: one is the original data and

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Tim Gruene
;) *From:* Jon Agirre jon.agi...@york.ac.uk *To:* CCP4BB@JISCMAIL.AC.UK *Sent:* Wednesday, 14 May 2014, 14:28 *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone 249GB? That's a whole lot of DVDs! On 14 May 2014 14:08, MARTYN SYMMONS martainn_oshioma...@btinternet.com

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Tim Gruene
@JISCMAIL.AC.UKhttps://mail.google.com/mail/?view=cmfs=1tf=1to=CCP4BB@JISCMAIL.AC.UK] *On Behalf Of *mesters *Sent:* Mittwoch, 14. Mai 2014 14:42 *To:* CCP4BB@JISCMAIL.AC.UKhttps://mail.google.com/mail/?view=cmfs=1tf=1to=CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] PDB passes 100,000 structure

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Mark Wilson
=1to=CCP4BB@JISCMAIL.AC.UK] *On Behalf Of *mesters *Sent:* Mittwoch, 14. Mai 2014 14:42 *To:* CCP4BB@JISCMAIL.AC.UKhttps://mail.google.com/mail/?view=cmfs=1tf=1to =CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone Amazing, great! And, which structure

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Tim Gruene
2014 14:42 *To:* CCP4BB@JISCMAIL.AC.UKhttps://mail.google.com/mail/?view=cmfs=1tf=1to =CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone Amazing, great! And, which structure ended up as number 100.000? - J. - Am 14.05.14 10:42, schrieb battle

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Tanner, John J.
:* Mittwoch, 14. Mai 2014 14:42 *To:* CCP4BB@JISCMAIL.AC.UKhttps://mail.google.com/mail/?view=cmfs=1tf=1to =CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone Amazing, great! And, which structure ended up as number 100.000? - J. - Am 14.05.14 10:42

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Mark Wilson
@JISCMAIL.AC.UKhttps://mail.google.com/mail/?view=cmfs=1tf=1; to =CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone Amazing, great! And, which structure ended up as number 100.000? - J. - Am 14.05.14 10:42, schrieb battle: The Worldwide Protein Data Bank

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Debasish Chattopadhyay
be clearly marked. Debasish -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Mark Wilson Sent: Wednesday, May 14, 2014 12:27 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] PDB passes 100,000 structure milestone Hi Tim, Getting to Eric's point

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Zachary Wood
@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone Amazing, great! And, which structure ended up as number 100.000? - J. - Am 14.05.14 10:42, schrieb battle: The Worldwide Protein Data Bank (wwPDB) organization is proud to announce that the Protein Data

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Gloria Borgstahl
://mail.google.com/mail/?view=cmfs=1tf=1to =CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone Amazing, great! And, which structure ended up as number 100.000? - J. - Am 14.05.14 10:42, schrieb battle: The Worldwide Protein Data Bank (wwPDB) organization

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Nat Echols
On Wed, May 14, 2014 at 10:26 AM, Mark Wilson mwilso...@unl.edu wrote: Getting to Eric's point about an impasse, if the PDB will not claim the authority to safeguard the integrity of their holdings (as per their quoted statement in Bernhard's message below), then who can? I think this may in

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Phil Jeffrey
As long as it's just a Technical Comments section - an obvious concern would be the signal/noise in the comments themselves. I'm sure PDB would not relish having to moderate that lot. Alternatively PDB can overtly link to papers that discuss technical issues that reference the particular

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Mark Wilson
Hi Nat, I agree that journals should be doing the heavy lifting here, for the reasons that you note. I also want to be clear that I believe the PDB is a crowning achievement of transparency and open access in the sciences, which is one reason that I am so concerned about this issue. I am in no

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Ethan A Merritt
On Wednesday, 14 May, 2014 13:52:02 Phil Jeffrey wrote: As long as it's just a Technical Comments section - an obvious concern would be the signal/noise in the comments themselves. I'm sure PDB would not relish having to moderate that lot. Alternatively PDB can overtly link to papers that

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Frances C. Bernstein
;) *From:* Jon Agirre jon.agi...@york.ac.uk *To:* CCP4BB@JISCMAIL.AC.UK *Sent:* Wednesday, 14 May 2014, 14:28 *Subject:* Re: [ccp4bb] PDB passes 100,000 structure milestone 249GB? That's a whole lot of DVDs! On 14 May 2014 14:08, MARTYN SYMMONS

Re: [ccp4bb] PDB passes 100,000 structure milestone

2014-05-14 Thread Dale Tronrud
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 The policy doesn't say you can supersede someone else's entry. It says you can deposit your own version, if you have a publication. Then there will be two bogus structures instead of one. Pretty soon the PDB will start to look like one of the