Re: [ccp4bb] [COOT] CCP4 - Coot in Applications

2012-12-06 Thread Antony Oliver
Thanks Scott. Using your stand-alone Coot package - 0.7 (revision 4459) [with guile 1.8.8 embedded] [with python 2.7.3 embedded], everything works perfectly. The previous issue of invalid window errors no longer occurs, and all scripts that use coot now work correctly (as the path

Re: [ccp4bb] Perfluoropolyether as cryoprotectant for membrane proteins ?

2012-12-06 Thread Ulrike Demmer
Thank you all for sharing your experience with Perfluoropolyether and freezing membrane proteins ! Now I myself heard about one membrane protein where Perfluoropolyether was the solution for the freezing problem. And it seems it worked in my case as well :-) Ulrike

[ccp4bb] Macromolecular Crystallography School announcement : 2013 in Uruguay

2012-12-06 Thread Alejandro Buschiazzo
Dear Colleagues, We are pleased to announce the *second Macromolecular Crystallography School 2013 *at the Institut Pasteur de Montevideo (Uruguay). All details can be found at www.pasteur.edu.uy/mx2013 http://www.pasteur.edu.uy/mx2013 *Title:* Macromolecular Crystallography School 2013:

[ccp4bb] refining against weak data and Table I stats

2012-12-06 Thread Douglas Theobald
Hello all, I've followed with interest the discussions here about how we should be refining against weak data, e.g. data with I/sigI 2 (perhaps using all bins that have a significant CC1/2 per Karplus and Diederichs 2012). This all makes statistical sense to me, but now I am wondering how I

Re: [ccp4bb] refining against weak data and Table I stats

2012-12-06 Thread Edward A. Berry
Another consideration here is your PDB deposition. If the reason for using weak data is to get a better structure, presumably you are going to deposit the structure using all the data. Then the statistics in the PDB file must reflect the high resolution refinement. There are I think three places

[ccp4bb] Postdoctoral Position on Membrane Protein Structural Biology

2012-12-06 Thread Vadim Cherezov
The Cherezov laboratory at The Scripps Research Institute (http://cherezov.scripps.edu) is looking for an exceptional and highly motivated candidate to work on the development of new technologies for membrane protein crystallization in lipidic environment as well as carry out

[ccp4bb] pdbset: filtering out ANISOU lines

2012-12-06 Thread Francois Berenger
Hello, Would it be possible to have pdbset take care of only the ATOM lines in a given PDB? I managed to make it do what I want but in case there are ANISOU lines, I want to ignore them. Currently, I'm using grep before pdbset, but I would prefer to avoid it as I am doing some computational