[ccp4bb] Postdoc Crystallographer Position - Berkeley

2009-01-09 Thread Paul Adams
Lawrence Berkeley Laboratory Postdoctoral Researcher Job ID: 22539 Division: Physical Biosciences Date Opened: 1/5/2009 Summary: A postdoctoral position is immediately available to study structure and function of macromolecular complexes and enzymes using X-ray crystallographic methods. This posi

Re: [ccp4bb] ARP/wARP Solvent

2009-01-09 Thread Matthew Chu
Thanks, Anastassis, "Solvent" is working now after installing the fixed file. Cheers, Matt 2009/1/8 Anastassis Perrakis > Hi - > Its a bug in version 7.0.1 that went (almost) unnoticed ... there was one > more complaint a year ago and I had fixed it but there was no release in > between. Sorr

Re: [ccp4bb] 2D

2009-01-09 Thread Puey Ounjai
Hello, The information you provided to us here is not enough. there are so many parameters and so many means to optimize 2D crystal. All of which depends on what kind of protein you are working on (membrane associated or soluble) and what kind of technique that you use to grow your crystal (l

Re: [ccp4bb] OT - Software articles / databases

2009-01-09 Thread George M. Sheldrick
I am equally upset by the fact that citations in the supplementary material tend not to get into the citation indices, though it is not quite so bad for SHELX because it tends to be cited in less prestigeous journals that make less use of supplementary material! George Prof. George M. Sheldrick

Re: [ccp4bb] OT - Software articles / databases

2009-01-09 Thread Ethan Merritt
On Friday 09 January 2009 10:11:55 Lucas Bleicher wrote: > I've been compiling a reference database and I've just noticed that it's > quite difficult to automatically retrieve references for most articles on > crystallographic software. Has anyone noticed that? > It seems that, for some reasons,

[ccp4bb] OT - Software articles / databases

2009-01-09 Thread Lucas Bleicher
I've been compiling a reference database and I've just noticed that it's quite difficult to automatically retrieve references for most articles on crystallographic software. Has anyone noticed that? It seems that, for some reasons, articles on the "Computer programs" section on Journal of Applie

Re: [ccp4bb] Published derivation of mFo-DFc formula?

2009-01-09 Thread carter
Randy, I believe that the first publication to report the use of coefficients 2Fobs-Fc antidates both the Main publication and the use of a downweighting of the Fc and is in Freer, et al., 1975 J. Biol. Chem. 250:46-54, which also gives a heuristic account of the value of such coefficients.  -

Re: [ccp4bb] Max number of TLS groups in Refmac5 -

2009-01-09 Thread Martyn Winn
Update your refmac? The latest refmac seems to have 200 rather than 70, but I'm not sure when it was updated. If that is not enough, you need to change MAXTLSGRP in tls.fh and recompile. Do you need so many? You might. But I also see cases where the TLS model is much more detailed than necessary.

[ccp4bb] Call for abstracts 2009- Young Crystallographers Group

2009-01-09 Thread Arefeh Seyedarabi
Please pay attention to this version of the message regarding the call for abstracts 2009. Dear Members, The YC2009 Satellite will take place in the afternoon of 20th April and in the morning of 21st April prior to the BCA Spring Meeting in Loughborough. As in previous years we will run thre

Re: [ccp4bb] Published derivation of mFo-DFc formula?

2009-01-09 Thread Randy Read
Hi Ian, Indeed, I didn't have time to reply during the festive season. Just to give appropriate credit, the 2mFo-DFc coefficients for acentrics in SIGMAA were derived by analogy to arguments made by Peter Main, but taking account of the effect of errors in the partial model. According to

Re: [ccp4bb] Secondary structure restraints

2009-01-09 Thread Eleanor Dodson
Phil Evans wrote: Does anyone have a good way of imposing secondary structure restraints in a low resolution refinement? I've done this in the past as hydrogen bond distance restraints within helices, input to refmac as "LINK"s , with the list generated with a little program and certain amoun

Re: [ccp4bb] NonCCP4 - Screening xtals of light sensitive compounds?

2009-01-09 Thread Gebhard Schertler
1 remove IR filter from a cheap ccd camera 2 fit camera to stereo microscope 3 insert a Infrared filter > 800 into the illuminating light pass 4 inspect and freeze crystals using a monitor in Dark-lab. Gebhard Dr. Gebhard F. X. Sc

Re: [ccp4bb] Secondary structure restraints

2009-01-09 Thread Dirk Kostrewa
Dear Phil & CCP4ers, to my knowledge, none of the existing reciprocal-space refinement programs is really suitable for low-resolution refinement. In my opinion, what is clearly missing, are automatic hydrogen-bond- restraints that would stabilize all secondary structures and other structur

[ccp4bb] Winter school on soft X-rays in Macromolecular Crystallography

2009-01-09 Thread Uwe Mueller
The registration deadline is approaching at January 15th. For those of you who are interested within this field, a limited number of additional participants can still be accepted at this venue. Here are some details: Winter School on Soft X-rays in Macromolecular Crystallography, February 18-