Re: [ccp4bb] Oxford University Press

2018-07-04 Thread Sanishvili, Ruslan
Hi Bernhard, While I do not disagree with anything you have said, there is an error in your computation. Your results are based on the assumption of a 40-hour work week and one-month vacation in a year. I don't know about now but back then Russian scientists did not work like that. So, the

Re: [ccp4bb] disulfate bond ?

2018-07-04 Thread Pavel Afonine
More re disulfide bonds: http://www.phenix-online.org/newsletter/CCN_2015_01.pdf#page=13 Pavel On Tue, Jul 3, 2018 at 11:26 PM, 张士军 <21620150150...@stu.xmu.edu.cn> wrote: > Hi all > > I got a structure which has COA in it, and the SH in the tail of COA > is very close to the SH side chain of

Re: [ccp4bb] Oxford University Press

2018-07-04 Thread Bernhard Rupp
I was just fascinated by the math: 800 x 3 = 2400, and given a work year of 1600 hrs this makes for 1.5 papers per hr to review… I don’t remember a reference to anyone specific - YS had only about 2000 papers – so maybe there are/were even more prolific candidates  Best, BR From:

Re: [ccp4bb] Oxford University Press

2018-07-04 Thread George Sheldrick
Dear Bernhard, I agree with you sentiments, but was wondering which 'poor Russian small molecule crystallographer' you had in mind? Yuri Strutchkov died in 1995. He was an excellent crystallographer but with an efficient team and good connections. I can't really complain, all the fake

Re: [ccp4bb] disulfate bond ?

2018-07-04 Thread Artem Evdokimov
It seems that your CoA is one carbon out of reference. You have spotty difference density over the ligand. Shift it left by one carbon bond and redune to see if density fits better. Artem On Wed, Jul 4, 2018, 02:26 张士军 <21620150150...@stu.xmu.edu.cn> wrote: > Hi all > > I got a structure which

Re: [ccp4bb] Oxford University Press

2018-07-04 Thread Bernhard Rupp
Yes, there is a problem in general with these ‘get rich quick with user data’ facebookoid sites. Publon seems to be another one and I had what can be charitably described as a pretty intense exchange with the dude running it. Nothing can be free (a concept occasionally alien to the purist

Re: [ccp4bb] Oxford University Press

2018-07-04 Thread Patrick Shaw Stewart
Bernhard, did you know that Researchgate is a controversial organization? They have been criticised for encouraging users to upload copyrighted material, see below. Their business model also seems to involve charging a high fee to spam their users - we tried it once but decided we were just

Re: [ccp4bb] disulfate bond ?

2018-07-04 Thread Ian Tickle
Indeed: http://www.chemspider.com/Chemical-Structure.154712.html -- Ian On Wed, 4 Jul 2018 at 11:45, CAVAZZA Christine 202795 < christine.cava...@cea.fr> wrote: > Yes, but one of the S atoms is not well positioned in the electron > density. And it is a disulfide bond (S-S) and not a disulfate

Re: [ccp4bb] disulfate bond ?

2018-07-04 Thread CAVAZZA Christine 202795
Yes, but one of the S atoms is not well positioned in the electron density. And it is a disulfide bond (S-S) and not a disulfate bond. Christine De : CCP4 bulletin board De la part de Eleanor Dodson Envoyé : mercredi 4 juillet 2018 12:18 À : CCP4BB@JISCMAIL.AC.UK Objet : Re: [ccp4bb] disulfate

Re: [ccp4bb] disulfate bond ?

2018-07-04 Thread Robbie Joosten
That’s because the ones om the left seem to be dragged into the wrong density. Sphere refine in Coot should clear that right up. After that it may very well look like a disulfide. Cheers, Robbie Sent from my Windows 10 phone From: CCP4 bulletin board on

Re: [ccp4bb] disulfate bond ?

2018-07-04 Thread Eleanor Dodson
Hmm - the "S" atoms look too close - S=S bond ~ 2A Eleanor On 4 July 2018 at 07:26, 张士军 <21620150150...@stu.xmu.edu.cn> wrote: > Hi all > > I got a structure which has COA in it, and the SH in the tail of COA > is very close to the SH side chain of Cys in the structure. I don't know > whether