Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-28 Thread Mischa Machius
> purposes. >> -Original Message- >> From: CCP4 bulletin board on behalf of Bernhard Rupp (Hofkristallrat a.D.) >> Sent: Thu 10/28/2010 12:22 PM >> To: CCP4BB@JISCMAIL.AC.UK >> Subject: Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) >> Why no

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-28 Thread Jim Pflugrath
, 2010 7:41 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) Feel free to use it as you wish. -- DUFF, Anthony wrote: > I reckon you could share hypothetical review comments for educational > purposes. > > > -Original Mess

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-28 Thread Bernhard Rupp (Hofkristallrat a.D.)
ding global parameterizations you have to >>> apply more sophisticated test such as Ethan pointed out (HR tests) >>> or Ian uses (LL-tests). And once you know how to do that, you do not >>> need any rules of thumb anyhow. >>> >>> So I opt for a fo

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-28 Thread Simon Kolstoe
mailto:ccp...@jiscmail.ac.uk] On Behalf Of Robbie Joosten Sent: Tuesday, October 26, 2010 10:29 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) Dear Anthony, That is an excellent question! I believe there are quite a lot of 'rules of thumb'

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-28 Thread Vellieux Frederic
I do not know if that's really cynical: I've had the case of a referee recommending manuscript rejection because the title of the manuscript was not appropriate. The editor followed the advice of the referee. A proper refereeing job would have been to suggest that the authors change the title o

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-28 Thread Eleanor Dodson
d [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Robbie Joosten Sent: Tuesday, October 26, 2010 10:29 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) Dear Anthony, That is an excellent question! I believe there are quite a lot of 'rules of thumb

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) [SEC=UNCLASSIFIED]

2010-10-28 Thread DUFF, Anthony
: Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) What about the possibility of double-blind review? I have actually wondered why the reviewers should be given the author info--does that determine the quality of the work? Am I missing some obvious reason why reviewers should know who

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Artem Evdokimov
It's fun to watch my innocent little comment unfold into a pandemonium of email :) That's why i love this mailing list. Seriously though, there seems to be two salient things said by many people in many different ways: 1. it's a good idea to look at the model in detail, and pay attention to struc

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Dima Klenchin
What about the possibility of double-blind review? I have actually wondered why the reviewers should be given the author info--does that determine the quality of the work? Am I missing some obvious reason why reviewers should know who the authors are? I've always felt (and advocated long time ag

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Bernhard Rupp (Hofkristallrat a.D.)
> _Alphabetically.php?faculty_id=123 > http://www.rsc.org/shop/books/2008/9780854042722.asp > > > Original message >>Date: Wed, 27 Oct 2010 15:13:03 -0700 >>From: CCP4 bulletin board (on behalf of >>"Bernhard Rupp (Hofkristallrat a.D.)" ) >&

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Jacob Keller
y_id=123 > http://www.rsc.org/shop/books/2008/9780854042722.asp > > > Original message >>Date: Wed, 27 Oct 2010 15:13:03 -0700 >>From: CCP4 bulletin board (on behalf of "Bernhard >>Rupp (Hofkristallrat a.D.)" ) >>Subject: Re: [ccp4bb] Rules of thumb (wa

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Phoebe Rice
l message >Date: Wed, 27 Oct 2010 15:13:03 -0700 >From: CCP4 bulletin board (on behalf of "Bernhard Rupp >(Hofkristallrat a.D.)" ) >Subject: Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) >To: CCP4BB@JISCMAIL.AC.UK > >> Surely the "best"

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Bernhard Rupp (Hofkristallrat a.D.)
a toast to > evidence and plausibility. > > And, as Gerard B said in other words so nicely: > > Si tacuisses, philosophus mansisses. > > BR > > -Original Message----- > From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of > Robbie Joosten > Sent: T

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Bernhard Rupp (Hofkristallrat a.D.)
Sorry I mean coordinates AND data of course. Again, if every technically competent reviewer asks- if deemed necessary- for coordinates and data and declines review if they are refused, that might change. -Nat

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Bernhard Rupp (Hofkristallrat a.D.)
Ø What's to prevent your closest competitor from downloading the structure and using it to solve and refine his or her own data? Integrity perhaps? Ahh stupid me – that is a verboten word. My original title of the recent JApplCryst commentary was a nice alliteration - ‘Scientific inquiry, in

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Nat Echols
On Wed, Oct 27, 2010 at 2:20 PM, Ed Pozharski wrote: > One can also release structure in the PDB prior to submission - I > believe the HPUB option is rarely (if ever) justified. > What's to prevent your closest competitor from downloading the structure and using it to solve and refine his or her

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Bernhard Rupp (Hofkristallrat a.D.)
editor, that is for sure. BR From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of VAN RAAIJ , MARK JOHAN Sent: Wednesday, October 27, 2010 1:57 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) perhaps we should campaign for

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Ed Pozharski
han pointed out (HR tests) or Ian uses > >> (LL-tests). And once you know how to do that, you do not need any > rules of > >> thumb anyhow. > >> > >> So I opt for a formal burial of these rules of thumb and a toast to > evidence > >> and plausibility. &g

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread VAN RAAIJ , MARK JOHAN
formal burial of these rules of thumb and a toast to evidence >> and plausibility. >> >> And, as Gerard B said in other words so nicely: >> >> Si tacuisses, philosophus mansisses. >> >> BR >> >> -Original Message- >> From: CCP4 bulletin

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Simon Kolstoe
scmail.ac.uk] On Behalf Of Robbie Joosten Sent: Tuesday, October 26, 2010 10:29 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) Dear Anthony, That is an excellent question! I believe there are quite a lot of 'rules of thumb' going aroun

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Bernhard Rupp (Hofkristallrat a.D.)
board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Robbie Joosten Sent: Tuesday, October 26, 2010 10:29 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) Dear Anthony, That is an excellent question! I believe there are quite a lot of 'rules of thumb' goi

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-27 Thread Jürgen Bosch
Regarding the riding hydrogens: They are obviously not visible, but your protein in solution is also not visible but still has those weird riding hydrogens:-) Use them, they are there. And ther was a recent compendium of neutron scattering in one of our favorite journals if you really want to see

Re: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) [SEC=UNCLASSIFIED]

2010-10-26 Thread DUFF, Anthony
Of Robbie Joosten Sent: Wednesday, 27 October 2010 4:29 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Rules of thumb (was diverging Rcryst and Rfree) Dear Anthony, That is an excellent question! I believe there are quite a lot of 'rules of thumb' going around. Some of them seem to le

[ccp4bb] Rules of thumb (was diverging Rcryst and Rfree)

2010-10-26 Thread Robbie Joosten
Dear Anthony, That is an excellent question! I believe there are quite a lot of 'rules of thumb' going around. Some of them seem to lead to very dogmatic thinking and have caused (refereeing) trouble for good structures and lack of trouble for bad structures. A lot of them were discussed at the