Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Phil Evans
I had hoped that Pointless could replace Reindex, but doing some test it seems that it also has problems with the syntax of reindex operators. I need to look into this (but perhaps not immediately, sorry) Phil On 31 Jan 2012, at 02:30, Jens Kaiser wrote: > Hi all, > we encountered an odd b

[ccp4bb] Error running pointless/aimless in OSX 10.7

2012-01-31 Thread Jose Trincao
Hi all, I've been trying to run pointless (1.6.9) in osx 10.7.3 but I am getting the following error: dyld: Symbol not found: __ZNSt11range_errorD1Ev Referenced from: /sw/share/xtal/ccp4-6.2.0/bin/pointless Expected in: /usr/lib/libstdc++.6.dylib in /sw/share/xtal/ccp4-6.2.0/bin/pointless Trace/BP

Re: [ccp4bb] Reasoning for Rmeas or Rpim as Cutoff

2012-01-31 Thread Randy Read
Hi Frank, Now that I've been forced to recalibrate my measure of "old literature" (apparently it's not just literature dating from before you started your PhD)... This idea has been used occasionally, but I think it might be becoming more relevant as more structures are done at low resolution.

Re: [ccp4bb] Error running pointless/aimless in OSX 10.7

2012-01-31 Thread Harry
Hi Jose the OS X builds seem to be less portable than the Linux builds - I make sure I can run pointless and aimless on my Macs by always building them locally (but be warned - the Makefile.make that Phil supplies for aimless is for Linux and needs slight editing for OSX) On 31 Jan 2012,

Re: [ccp4bb] Error running pointless/aimless in OSX 10.7

2012-01-31 Thread Phil Evans
OK I've just updated OSX Pointless on our ftp server to be as "static" as I can make it ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/pointless-1.6.14.osx10.6 You could try that Phil otool -L ./pointless ./pointless: /usr/lib/libSystem.B.dylib (compatibility version 1.0.0, current version 125.2

Re: [ccp4bb] Error running pointless/aimless in OSX 10.7

2012-01-31 Thread Phil Evans
sorry should be fixed now (permissions etc) Phil On 31 Jan 2012, at 09:59, Luca Jovine wrote: > Hi Phil, thanks but... > > OSX> ls -l > > total 0 > -rwxr-xr-x@ 1 luca staff 0 Jan 31 10:57:09 2012 pointless-1.6.14.osx10.6* > > OSX> ./pointless-1.6.14.osx10.6 > OSX> > > doesn't seem to produ

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Eleanor Dodson
Sorry, but it is a pain writing interpreters - at least it was in Fortran! and once you have one which recognises slashes as divisors, brackets can seem a step too far! Eleanor On 01/31/2012 08:46 AM, Phil Evans wrote: I had hoped that Pointless could replace Reindex, but doing some test it

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Ian Tickle
On 31 January 2012 02:30, Jens Kaiser wrote: > Hi all, >  we encountered an odd behaviour of REINDEX. > > Snip form logfile: > >  Data line--- reindex HKL (h+l)/2, -k, (h-l)/2 >  Data line--- end > >  Reflections will be reindexed, and unit cell recalculated > >  Reindexing transformation: >      

Re: [ccp4bb] Error running pointless/aimless in OSX 10.7

2012-01-31 Thread Jose Trincao
Hi Phil, seems to be working fine now. Now aimless has the same error message. Could you correct that one also? Thank you so much! Jose On Jan 31, 2012, at 31/1/12 - 10:11, Phil Evans wrote: sorry should be fixed now (permissions etc) Phil On 31 Jan 2012, at 09:59, Luca Jovine wrote: > Hi Phi

[ccp4bb] postdoc in oncology drug discovery

2012-01-31 Thread Gregg Siegal
A recently funded project entitled "New Targets to Address Old Problems in Oncology" is recruiting personell. The goal of the project is to assess the feasibility of driving cancer cells into apoptosis by inhibiting transcription coupled repair (TCR) of DNA. The person will form part of a team

[ccp4bb] PhD position available for studies in molecular immunology with a focus on NK cell modulation in Stockholm, Sweden

2012-01-31 Thread Adnane Achour
Dear members of the CCP4 community, I would like to attract your attention to the following opportunity. Best regards Adnane Achour Karolinska Institutet has a vacancy for A doctoral student with doctoral grant in Molecular Immunology with a focus on NK cell modulation Department Department

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Ian Tickle
Eleanor Maybe the interpreter should at least throw an error if it encounters a character (such as a bracket) that it can't interpret, as Jens implied. Cheers -- Ian On 31 January 2012 10:16, Eleanor Dodson wrote: > Sorry, but  it is a pain writing interpreters - at least it was in Fortran! >

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Phil Evans
Pointless does at least throw an error On 31 Jan 2012, at 13:19, Ian Tickle wrote: > Eleanor > > Maybe the interpreter should at least throw an error if it encounters > a character (such as a bracket) that it can't interpret, as Jens > implied. > > Cheers > > -- Ian > > On 31 January 2012 10:

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Eleanor Dodson
Agreed.. E On 01/31/2012 01:20 PM, Phil Evans wrote: Pointless does at least throw an error On 31 Jan 2012, at 13:19, Ian Tickle wrote: Eleanor Maybe the interpreter should at least throw an error if it encounters a character (such as a bracket) that it can't interpret, as Jens implied. Ch

Re: [ccp4bb] Error running pointless/aimless in OSX 10.7

2012-01-31 Thread Jose Trincao
Hi Phil, it's running fine now! Thank you so much! Jose On Jan 31, 2012, at 31/1/12 - 12:52, Phil Evans wrote: OK I've updated that too On 31 Jan 2012, at 10:38, Jose Trincao wrote: > Hi Phil, > seems to be working fine now. Now aimless has the same error message. Could > you correct that on

Re: [ccp4bb] Kinase crystallization

2012-01-31 Thread Pius Padayatti
a comment to add about phosphatase (PP2A, C class serine theronine) buying phosphatase for crystallization trials was kind of not practical( very high prices ) so we tried expressing and purify it from overexpressed in bacterium with yields very low. Also the purified phosphtase co-purify some prot

[ccp4bb] Crack-resistant tubes for centrifugation

2012-01-31 Thread Raji Edayathumangalam
Hi Folks, Are you any favorite brands out there for crack-resistant 50mL centrifugation tubes. It seems we are having recurring episodes of Falcon and Corning tubes cracking even at 9,000 rpm, which is the maximum speed possible with our rotor. I have used Falcon tubes for years in the past withou

Re: [ccp4bb] Crack-resistant tubes for centrifugation

2012-01-31 Thread Bosch, Juergen
To how many g does your 9000 rpm translate ? Perhaps that's the problem ? 10 minutes @ 5000xg for pelleting cells is more than enough in my opinion. Jürgen On Jan 31, 2012, at 11:59 AM, Raji Edayathumangalam wrote: Hi Folks, Are you any favorite brands out there for crack-resistant 50mL centrif

Re: [ccp4bb] Crack-resistant tubes for centrifugation

2012-01-31 Thread Raji Edayathumangalam
9000 rpm translates to 13,000 g on this centrifuge/rotor. I am not referring to pelleting bacterial cells. My question is about centrifuging bacterial lysates and some recommendations for sturdy tubes. Thanks. Raji On Tue, Jan 31, 2012 at 12:02 PM, Bosch, Juergen wrote: > To how many g does y

Re: [ccp4bb] Crack-resistant tubes for centrifugation

2012-01-31 Thread Bosch, Juergen
Sorry I misunderstood that, I thought you wanted to pellet cells. Well in that case my reply would have been get some 50ml Nalgene tubes (I think they are good to 5xg) for an SS-34 rotor and spin your lysate at the maximum g force you can get for 30 minutes to get a good pellet. This will ob

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Jens Kaiser
Ian, Ah! the old the row is the column depiction of matrices in CCP4 - ha had forgotten about that! Now at least the output makes sense and the caveat is to never use brackets. Thanks to all replies!! Jens On Tue, 2012-01-31 at 10:17 +, Ian Tickle wrote: > On 31 January 2012 02:30, Jens Ka

Re: [ccp4bb] Reasoning for Rmeas or Rpim as Cutoff

2012-01-31 Thread Ronald E Stenkamp
James Holton suggested a reason why the "forefathers" used a 3-sigma cutoff. I'll give another reason provided to me years ago by one of those guys, Lyle Jensen. In the 70s we were interested in the effects of data-set thresholds on refinement (Acta Cryst., B31, 1507-1509 (1975)) so he explain

Re: [ccp4bb] Crack-resistant tubes for centrifugation

2012-01-31 Thread Martin Hällberg
Raji, we use the 50 ml Cornings up to 25K RCF in our F13S-14x50cy rotor without leakage so it could be a batch specific problem with your Corning tubes. Try to talk to Piramoon or one their resellers (Thermo?) in your country if they have some batches of 50 ml tubes in stock that they can guaran

Re: [ccp4bb] IUCr committees, depositing images

2012-01-31 Thread Terwilliger, Thomas C
For those who may not have made it through all the CCP4bb postings in October-December 2011 on archiving raw images, I have posted a summary at the IUCR Diffraction Data Deposition Working Group forum page http://forums.iucr.org/viewforum.php?f=21 in which I have attempted to list the unique

Re: [ccp4bb] Reasoning for Rmeas or Rpim as Cutoff

2012-01-31 Thread Phoebe Rice
I'm enjoying this discussion. It also seems like a good spot to inject my standard plea for better treatment of anisotropy in things like "table 1" of papers and PDB deposition forms. When you have Ewald's football (American football), like many nucleic acid-ophiles do, one number simply isn't

Re: [ccp4bb] Reasoning for Rmeas or Rpim as Cutoff

2012-01-31 Thread Navraj S. Pannu
I am concerned about one basic problem about using sigmaa to judge the quality of the data and, in particular, data cut-offs: sigmaa depends on a model! judging data quality by using a model that we derived from is worrying. sigmaa is by definition the correlation between the (unknown) true st

Re: [ccp4bb] Crack-resistant tubes for centrifugation

2012-01-31 Thread Artem Evdokimov
In our hands the polyethylene tubes work even at 11krpm or over 30kg forces. But NOT polycarbonate ones. On Jan 31, 2012 10:59 AM, "Raji Edayathumangalam" wrote: > Hi Folks, > > Are you any favorite brands out there for crack-resistant 50mL > centrifugation tubes. It seems we are having recurring