[ccp4bb] Xenon Derivatization

2011-11-04 Thread Brennan Bonnet
Hi everyone, My name is Brennan Bonnet and I am doing my Master’s project on SAD phasing of proteins using xenon gas. I plan on doing several proteins but first I am trying to get everything working smoothly on lysozyme since it is easy to grow, diffracts well, and is already known to bind x

Re: [ccp4bb] atomic scattering factors in REFMAC

2011-11-04 Thread Ivan Shabalin
Im very grateful to the community for supporting me with so interesting information! Now my understanding of the subject is much better! With best regards, Ivan Shabalin

[ccp4bb] Call for submissions to Computational Crystallography Newsletter

2011-11-04 Thread Nigel Moriarty
Calling for articles and short communications of interest tostructural biologists. The deadline for publication in the January2012 issue is 1st Dec, 2011. The Computational Crystallography Newsletter (CCN) is an electronicnewsletter for structural biologists, and is published online every 6months.

Re: [ccp4bb] Archiving for fraud detection

2011-11-04 Thread James Stroud
On Nov 4, 2011, at 2:09 AM, Chris Morris wrote: > One argument for archiving images has been that reprocessing could > demonstrate deliberately deceptive structures. > > In fact, what is needed for this is not necessarily the image. It is the last > data file that was produced by a trusted com

Re: [ccp4bb] Archiving for fraud detection

2011-11-04 Thread Zhijie Li
If the data files generated from trusted computers carry digital signatures it would be more trustworthy. Otherwise, a person with proper knowledge can still manipulate the data files, even if it is in binary. If the image processing software routinely incorporate encrypted key information of th

Re: [ccp4bb] MR - small coiled coil, 1.65A = 1.000 solutions, all of them wrong

2011-11-04 Thread George M. Sheldrick
We have unintentionally discovered a very simple way of telling whether an MR solution is correct or not, provided that (as in this case) native data have been measured to about 2.1A or better. This uses the current beta-test of SHELXE that does autotracing (available on email request). First rena

Re: [ccp4bb] MR - small coiled coil, 1.65A = 1.000 solutions, all of them wrong

2011-11-04 Thread Sergei Strelkov
Dear Napoleão, Thank you for updating everyone on your efforts, and also acknowledging the advice. I wanted to respond to your question regarding maps. I know that many people who try to figure out whether or not their MR solution is the right one would ask the same question. So first of all if

[ccp4bb] Archiving for fraud detection

2011-11-04 Thread Chris Morris
One argument for archiving images has been that reprocessing could demonstrate deliberately deceptive structures. In fact, what is needed for this is not necessarily the image. It is the last data file that was produced by a trusted computer. If the structure depends on mtz files produced at th