Re: [ccp4bb] Boveral in SFCheck

2012-12-14 Thread Eric Williams
I'm well aware of that. Since I'm looking for outliers in the PDB, avoiding 2HR0 is the opposite of what I want to be doing. ;) I only picked it for my example because it's one of a few IDs I have memorized. :) Eric On Fri, Dec 14, 2012 at 2:57 AM, Michael Hadders mhadd...@gmail.com wrote:

Re: [ccp4bb] Boveral in SFCheck

2012-12-14 Thread Michael Hadders
Hi, 2HR0 I would stay far away from that one! It is a made up model, not based on any real data. Unfortunately, for reasons unclear to me, this structure has still not been retracted from the PDB. This B factor could just be a figment of the senior authors imagination

Re: [ccp4bb] Fwd: Re: [ccp4bb] The information of shelxc_fa.lst

2012-12-14 Thread Wei Feng
Dear professor George Sheldrick, I am so sorry to bother you again! From the shelxc_fa.lst file, we can find that the Patterson peaks will be selected only when the 'Mult' equal to 1.. shelxc_fa.lst: Patterson (* indicates vector selected for search) X Y ZHeight Mult

Re: [ccp4bb] Fwd: Re: [ccp4bb] The information of shelxc_fa.lst

2012-12-14 Thread George M. Sheldrick
That's because they are Harker peaks which for good reasons are unsuitable as translation search vectors. The Patterson function is well explained in many of the standard crystallographic texts (e.g. Giacovazzo's book that I already recommended) and maybe you need to read these before asking your

[ccp4bb] Staff Scientist, Enzymology at ARIAD Pharmaceuticals in Cambridge MA

2012-12-14 Thread Angela Toms
Tracking Code 246-419 Title/Position:Staff Scientist, Enzymology Summary ARIAD Pharmaceuticals Inc. is seeking an independent and highly motivated staff scientist in enzymology to join our small molecule oncology drug discovery team. The successful candidate will play a key

[ccp4bb] Call for access to Synchrotron Beamline Facilities 2013 - EMBL Hamburg,,Germany

2012-12-14 Thread margret
Dear Colleagues, We announce a call for synchrotron beam time applications in biological small-angle scattering (SAXS) and macromolecular crystallography (MX). The beamtime will be available at the PETRA-III storage ring from March, 1st, 2013 to June, 30th, 2013. In biological SAXS, we offer

Re: [ccp4bb] archival memory?

2012-12-14 Thread Richard Gillilan
This is too funny. My wife's new job is scanning Sumerian clay tablets into computer. I kid you not. On Dec 12, 2012, at 5:35 PM, Laura Spagnolo wrote: I would definitely go for babylonian clay... On Dec 12, 2012, at 10:31 PM, Adrian Goldman wrote: I say write them out onto

Re: [ccp4bb] archival memory?

2012-12-14 Thread Boaz Shaanan
But why? I thought the idea emanating from the thread was to go the other way around for long time archival, i.e. computer -- Sumerian (or Babylonian) clay. Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel E-mail:

Re: [ccp4bb] archival memory?

2012-12-14 Thread Artem Evdokimov
In terms of information density clay, paper and suchlike are not likely to be competitive with any modern storage device. However, if there really is a serious need to store relatively large amounts of information for a really long time I see no issues with laser (or afm) engraving on thin gold

Re: [ccp4bb] archival memory?

2012-12-14 Thread yayahjb
Highly redundant self-identifying DNA fragments are probably the way to go, but electron lithography on silicon wafers is a well-supported technology that, even without a protective layer would outlast paper or clay, and with transparent protective encapsulation, would last longer than we are

[ccp4bb] archival memory?

2012-12-14 Thread Richard Gillilan
At risk of lengthening an already silly, off-topic discussion ... there have been good arguments here in the past on why re-processing archived data can yield important new information. But in the very long run I think, protein structures will be all figured out and new technology will allow

Re: [ccp4bb] archival memory?

2012-12-14 Thread Richard Gillilan
It's an interesting story. Even before 9/11, the tablet collection was the subject of debates on ethics in archaeological circles. Such tablets were sometimes from private collectors and probably obtained from looters on the black market. Reading them (the insides could be x-rayed ...

[ccp4bb] CCP4 6.3.0 update 011

2012-12-14 Thread Andrey Lebedev
Dear CCP4 Users, A CCP4 update has just been released, consisting of the following changes: * Aimless: Improvements to the CCP4i interface to Aimless * MrBUMP: Some changes to the output for compatibility with QtRView * Xia2: Updated to version 0.3.5.0 * Areaimol: Fix for already allocated array

Re: [ccp4bb] Boveral in SFCheck

2012-12-14 Thread Zhijie Li
Hi, Seems not officially retracted from Nature either. On the paper's web page, there was only a line in small font read like this: There is a Brief Communications Arising (9 August 2007) associated with this document. It took me more than half an hour to find this line. I normally won't

Re: [ccp4bb] Boveral in SFCheck

2012-12-14 Thread Folmer Fredslund
Hi, Sorry Eric I don't have an answer for your question. off topic: From the University's announcement ( http://main.uab.edu/Sites/reporter/articles/71570/) you would have thought that they had asked for this entry to be removed. But if I understand correctly, this is is completely at the

Re: [ccp4bb] Boveral in SFCheck

2012-12-14 Thread Randy Read
Hi, It's hard to believe this has gone on so long, but the situation doesn't seem to have changed since the wwPDB put up a statement about this case in December 2009: http://www.wwpdb.org/UAB.html. This explains the wwPDB policy that entries are only made obsolete when the corresponding

[ccp4bb] Offtopic: Trp as a nucleophile?

2012-12-14 Thread Peter Hsu
Hi all, This is probably a really bad question, but are there any examples of Trp acting as a nucleophile at all in literature? I can't imagine it can, but I thought I'd ask just to make sure from people who know more than I. Thanks and sorry for the offtopic question. Peter

Re: [ccp4bb] Boveral in SFCheck

2012-12-14 Thread Eric Williams
When last I checked a few months ago, of the 12 implicated structures only 4 had been moved to the PDB's repository of obsolete structures. Eric On Fri, Dec 14, 2012 at 5:11 PM, Randy Read rj...@cam.ac.uk wrote: Hi, It's hard to believe this has gone on so long, but the situation doesn't