Re: [ccp4bb] raw data deposition

Why should we store images? There are many reasons why storing images can be useful, but one is the ability to re-analyze the data for a structure, or for all structures, in a systematic and improved way. I imagine that in a few years the PDB-REDO approach to rebuilding structures will be extende

Re: [ccp4bb] IUCr committees, depositing images

John Helliwell points out to me that it might be useful to know what MX crystallographic data researchers in different countries are already expected to deposit or save. He notes that research funding agencies in the UK expect researchers to preserve their raw experimental data for at least 5 years

Re: [ccp4bb] should the final model be refined against full datset

I think that we are using the test set for many things: 1. Determining and communicating to others whether our overall procedure is overfitting the data. 2. Identifying the optimal overall procedure in cases where very different options are being considered (e.g., should I use TLS). 3. Calculati

Re: [ccp4bb] should the final model be refined against full datset

feasible in these areas, and to express >> their >> own for everyone to read and discuss. >> >> Perhaps John Helliwell can elaborate on this and on the newly created >> forum. >> >> >> With best wishes, >> >> Gerard. >&

Re: [ccp4bb] should the final model be refined against full datset

For those who have strong opinions on what data should be deposited... The IUCR is just starting a serious discussion of this subject. Two committees, the "Data Deposition Working Group", led by John Helliwell, and the Commission on Biological Macromolecules (chaired by Xiao-Dong Su) are working o

Re: [ccp4bb] Phenix Refine

Hi Haytham, I'll respond on the phenix bulletin board (you can sign up at www.phenix-online.org)! All the best, Tom T >> when i refine using phenix.refine i get this error >> >> number of groups of duplicate atom labels:1 >> total number of affected atoms: 2 >> group "HETATM 3466 BR PDB F 1 .*. BR

[ccp4bb] ICSG 2011 May 10-14, 2011, Toronto

Dear Colleagues, We hope that you are planning to join us in Toronto, Canada for the International Conference on Structural Genomics 2011 which will be held on May 10-14, 2011. We have an excellent scientific program prepared which includes both oral and poster presentations (please see: http://w

[ccp4bb] ICSG 2011 Early Registration Deadline Feb 28, 2011

ICSG 2011 Abstract and Early Registration Deadline Feb 28, 2011 Dear Colleagues, We hope that you are planning to attend the International Conference on Structural Genomics 2011, which will be held in Toronto, Canada on May 10-14, 2011. The meeting is designed to serve as a forum to discuss the m

[ccp4bb] ICSG 2011 Abstract Deadline Feb 28, 2011: International Conference on Structural Genomics

Dear Colleagues, We hope that you are planning to attend the International Conference on Structural Genomics 2011, which will be held in Toronto, Canada on May 10-14, 2011. The meeting is designed to serve as a forum to discuss the most recent developments in structural genomics, structural/chemic

[ccp4bb] Intl Conf on Structural Genomics, Toronto, Canada, May 10-14, 2011

Dear Colleagues, We are pleased to let you know about the upcoming International Conference on Structural Genomics 2011, to be held in Toronto, Canada on May 10-14, 2011. This meeting is the 6th in this series of biennial meetings of the International Structural Genomics Organization. The meet

[ccp4bb]

Dear Colleagues, The ICSG 2008 International Conference On Structural Genomics is coming up Sept 20-24 in Oxford, UK. We have a terrific program lined up and I hope that you'll register now if you haven't already! I've copied the latest announcement of the meeting below. All the best, Tom Terwil

[ccp4bb] Student travel fellowships to ICSG 2008 Oxford, UK available

Dear CCP4 Colleagues, The International Structural Genomics Organization (ISGO, http://www.isgo.org) is pleased to announce that ten ISGO - NIH Protein Structure Initiative Student Travel Fellowships are available for travel to the ICSG 2008 conference in Oxford, UK, Sept 20-24, 2008 (http://www.s

Re: [ccp4bb] prime-and-switch question

Dear Yolanda, Here is the basic idea of prime-and-switch phasing: We calculate phases from a model. These phases are mostly correct, but may have incorrect peaks at the coordinates of some misplaced atoms in the model. Next we are going to go through our reflections one by one. We calculate a m

Re: [ccp4bb] too good R/Rfree with resolve

Hi Partha, It sounds to me as though the amplitudes that were given to resolve as FP may have been calculated ones. The FP and SIGFP written out by resolve are normally the same as those that are input, and so you can use them in refinement in most circumstances. You are always safest to do as G