Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread James Stroud
On Friday 27 July 2007 16:48, Artem Evdokimov wrote: > I can turn it back on as easily as it was turned off - as I said, several > people had negative comments, so I decided to to turn it off for now. If > there's more positive than negative impact - I would be glad to turn it > back on. When you

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread Artem Evdokimov
Hi, I can turn it back on as easily as it was turned off - as I said, several people had negative comments, so I decided to to turn it off for now. If there's more positive than negative impact - I would be glad to turn it back on. Artem _ From: CCP4 bulletin board [mailto:[EMA

Re: [ccp4bb] Problem converting CNS cv file to mtz using f2mtz

2007-07-27 Thread Stuart Endo-Streeter
What are you entering for the fortran format section and how many lines are you skipping? Helps to know what you have tried and how. May also help to attach your CNS cv header and first two-three reflections instead of cut-pasting into the e-mail body since the formating, spacing tends to get

Re: [ccp4bb] Problem converting CNS cv file to mtz using f2mtz

2007-07-27 Thread William Scott
This is usually pretty easy with sftools. You need to feed in the cell and space group interactively, and then it should give you the option to write the output as mtz. Ryan Watkins wrote: > Hello Colleagues, > > I'm trying to convert a cns cv file to a CCP4 mtz file. I have only > Fobs and SigF

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread Anastassis Perrakis
Just to clarify, since I feel I got misunderstood, that what Artem writes below, is the only kind of 'validation' I would also suggest. Real names though, from real institutes or companies, no yahoo/gmail aliases, so people can check the sources of the articles. A. PS I actually think that

[ccp4bb] Problem converting CNS cv file to mtz using f2mtz

2007-07-27 Thread Ryan Watkins
Hello Colleagues, I'm trying to convert a cns cv file to a CCP4 mtz file. I have only Fobs and SigFs. Unfortunately, I cannot get f2mtz to work and am looking for some help. The program dies either with a "cannot read first reflection" or with a "child killed: bus error" error. Here are the 1s

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread James Stroud
On Friday 27 July 2007 06:10, Anastassis Perrakis wrote: > Being a small contributor to the Greek Wiki, which has far less > subscribers than the English one, > I can see that the dynamics do not work well. People can sneak in > loads of crap, that are unlikely to be read > and corrected by an expe

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread artem
Hi, I personally am not concerned as much (as I should be?) with the security - Wiki's tend to get attacked but as you point out the databases contain all the old articles and can be backed up on a regular basis. There has been enough concern expressed to me by different folks that I took down th

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread Artem Lyubimov
Actually, if one follows Bill's public appearances closely, one may notice that each time a different person appears under that name. I've done some digging, and apparently "William Scott" is a bot. Apparently, some bioinformatics grad students were trying to determine if crystallography

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread Oganesyan, Vaheh
Isn't this e-mail's topic and it's appearance contradict each other? It comes from William Scott's e-mail account, but signed as coming from Paul Emsley. How do we figure out who actually wrote this e-mail with or without control access. The easiest way is to assume that it is coming from Bill, h

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread William Scott
Most of us register on the CCP4 bb with our own names. If we say something stupid, it damages our reputation in front of our peers. A similar approach can be used for the Wiki. Control access, and limit it only to people who register with their own name and who are registered to the ccp4 bb. --

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread Christoph Best
Hi- I just wanted to point you to a nice example of using Wikipedia in a very simple way: http://en.wikipedia.org/wiki/Software_tools_for_molecular_microscopy This is a web page listing the programs used in EM. It was started by one person, Bridget Carragher at Scripps, in relation with a JSB

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread Kay Diederichs
Anastassis Perrakis schrieb: Kay - disagreeing once was enough ... so: I share your thoughts about the wiki ! However, the dynamics of Wikipedia are an interesting issue and relate to 'vandalism'. Being a small contributor to the Greek Wiki, which has far less subscribers than the English one

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread Anastassis Perrakis
Kay - disagreeing once was enough ... so: I share your thoughts about the wiki ! However, the dynamics of Wikipedia are an interesting issue and relate to 'vandalism'. Being a small contributor to the Greek Wiki, which has far less subscribers than the English one, I can see that the dynamic

Re: [ccp4bb] initial model built in Fo map not refining

2007-07-27 Thread Clemens Vonrhein
Hi Eleanor, On Fri, Jul 27, 2007 at 12:56:07PM +0100, Eleanor Dodson wrote: > Phasing tasks) , worrying a lot if they are not! then using the 2.3A > data for phase extension from the 2.7A exptl phases. DM with averaging > and phase extension will improve your map a lot, and maybe you can build

Re: [ccp4bb] Crystallography short courses?

2007-07-27 Thread Raji Edayathumangalam
The Rapidata course held at Brookhaven every year is a five-day course precisely for what you are talking about. I benefited much from attending the course. Check the link: http://www.px.nsls.bnl.gov/courses/rr_course_2007/ Hope that helps. Raji -Included Message-- >I am lookin

Re: [ccp4bb] initial model built in Fo map not refining

2007-07-27 Thread Eleanor Dodson
The new pointless which is the underlying program for the "Test Alternate Indexing" task from the CCP4-6.0.2 GUI works brilliantly for matching 2 data sets. However in P21212 if a not-equal b not-equal c it is hard to confuse them.. Like Tassos I think you should start your experiment by mergi

[ccp4bb] Problem reading syminfo.lib

2007-07-27 Thread Ian Tickle
All- I've written a program which reads all the space-group info in syminfo.lib (in order to generate Cheshire groups - currently syminfo.lib only contains the limits of the Cheshire cell - it doesn't list the elements of the group which is what I need). However I'm running into a problem: s/r MS

Re: [ccp4bb] struggling with molecular replacement

2007-07-27 Thread Eleanor Dodson
Does your cell show pseudo symmetry or NCS translations? Eleanor Wu, Mousheng wrote: hi, everyone! I am struggling with my crystal structure in a very big unit cell. my protein is about 16KDa. probably there are about 20 molecules in the asymmetric unit. I tried to use molecular replacement t

Re: [ccp4bb] initial model built in Fo map not refining

2007-07-27 Thread Eleanor Dodson
Does the mtz file you are using for refinement have the correct spacegroup in it? Sometimes it gets left as the pointgroup P222 and causes disasters (you just need to run mtzutils hklin1 now.mtz hklout x.mtz SYMM P21212 end Eleanor Satinder K. Singh wrote: Hello, I have a SAD data set to

Re: [ccp4bb] initial model built in Fo map not refining

2007-07-27 Thread Kay Diederichs
Anastassis Perrakis schrieb: I also have to say that (for once!) I dont agree with Kay. I have tried in the past to refine against datasets processed with different programs, and I know people that do that a lot; the differences are minor at best (1-2 % Rfree, mostly differences are in the an

Re: [ccp4bb] CCP4 Wiki

2007-07-27 Thread Kay Diederichs
Kevin Cowtan schrieb: Yes, that is our intention. CCP4 would probably be at the third level of a hierarchy including: Macromolecular crystallographic techniques Structure solution, analysis and visualisation software The CCP4 suite Kevin, why does/will/should the CCP4 Wiki have a hier

Re: [ccp4bb] initial model built in Fo map not refining

2007-07-27 Thread Anastassis Perrakis
Hi - Its not clear to me if the 2.3 A dataset is from a different crystal, if it has the same space group as the 2.7 A dataset and if it is isomorphous, and how the 'jump' from the 2.7 A dataset to the 2.3 A dataset has been done. I can think of quite a few ways to do that transition, and