Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Antony Oliver
Dmitry... everyone is of course entitled to their opinion - but as one of the brain-washed masses I feel I need to at least reply (!). Sorry Cara... I am not happy with the direction OS X is going. Too much emphasis on eye candy and not enough on underlying technology. Fair enough, but it

Re: [ccp4bb] Off-topic: ITC - what to buy?

2013-01-23 Thread Hernani Silvestre
Hi Those are the only two brands out there that I know of too. Depending on what sort of experiments you will be doing (high, medium or low troughput ? Full characterisation ?), one model might be better suited than the other. I would consider TTP labtech ChipCAL too. Not wanting to introduce

[ccp4bb] Hi clashscore

2013-01-23 Thread supratim dey
Hi I am refining my 2 angstrom strucutre using phenix windows based software. After many refinements my clashscore is not at all reducing and showing a value of 12. Can anybody suggest how to reduce the clashscore. Is there any technique to do it. Or i have to deal with each individual clashes

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread James Stroud
On Jan 22, 2013, at 11:20 PM, Nat Echols wrote: The real difficulty is integrating Macs into a Linux-centric environment, for example configuring NFS, NIS, etc. That's because NFS and NIS are antiquities left over from the days of mainframes. Distributed file systems and user information

Re: [ccp4bb] protein solubility predictions

2013-01-23 Thread Alberto Manfrin
Hi Careina, If your protein is expressed in E. coli, you can have a prediction of its solubility on this website: http://biotech.ou.edu Hope it helps! Alberto Manfrin From: Careina Edgooms careinaedgo...@yahoo.com Reply-To: Careina Edgooms careinaedgo...@yahoo.com Date: Tue, 22 Jan 2013

Re: [ccp4bb] Hi clashscore

2013-01-23 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Supratim, I am afraid so, yes, you'll have to do it manually. Model building is the other half of creating a model, and time-wise surely the more time consuming one. On the other hand it is also the more scientific one where you feel less

Re: [ccp4bb] Hi clashscore

2013-01-23 Thread Robbie Joosten
Hi Supratim, The clashscore gives the relative number of clashes, not their severity. This makes it difficult to see what your specific problem is. Sever clashes (with large overlaps) are usually the result of errors in your model and need individual attention. Light bumps can usually be solved

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Anastassis Perrakis
I am of the opinion that the truth lies somewhere in between ... Here are my two cents based on personal experience ... For example, I am happy myself using a MacBook Pro, which is sufficient for all my activities, and has all software and data that I need. Thus, I am myself on the 'new'

Re: [ccp4bb] protein solubility predictions

2013-01-23 Thread Anastassis Perrakis
Indeed there are many web tools predicting solubility. My personal bias is that your brain is the best tool for ideas on how to design expression constructs. (since one question in a multi-domain protein, is which bit is interesting ...!) Many brains are better than one (talk to your colleagues

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Ashley Buckle
Cara you have re-ignited the perennial Mac v PC debate!!! You'll be asking about depositing raw diffraction data next ;) Cheers Ashley Sent from my iPhone On 23/01/2013, at 10:29 PM, Anastassis Perrakis a.perra...@nki.nl wrote: I am of the opinion that the truth lies somewhere in between ...

Re: [ccp4bb] Mac mini advice (rapidly veering off topic)

2013-01-23 Thread Chris Richardson
In the great internet tradition I'll chip in with my opinion even though it doesn't differ substantially from those already stated earlier in the thread. I'm responsible for a mixed bag of Windows, Linux and Mac boxen used for crystallography and structural electron microscopy. In terms of

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Peter Keller
On Wed, 2013-01-23 at 01:54 -0700, James Stroud wrote: On Jan 22, 2013, at 11:20 PM, Nat Echols wrote: The real difficulty is integrating Macs into a Linux-centric environment, for example configuring NFS, NIS, etc. That's because NFS and NIS are antiquities left over from the days of

[ccp4bb] ATP binding

2013-01-23 Thread Jan Rashid Umar
Dear All , Could anybody suggest the best possible manner to measure the halflife time of a protein-ATP complex? Our protein binds to ATP and we would like to measure its half life time after it is bound to radiolabelled ATP. Looking forward for your valuable suggestions. Best wishes, Jan

[ccp4bb] Two PhD Positions in Structural Biology, Research Centre Juelich Germany

2013-01-23 Thread Joachim Granzin
At the Structural Biochemistry Institute (ICS-6, Forschungszentrum Juelich, Germany), we are looking for two highly motivated PhD students interested in biochemical and structural studies on photosignaling proteins and enzymes. The positions can be filled starting from March 2013. The project

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Bosch, Juergen
I assume nobody of you is running an actual Osx server ? I mean the upgrade to a full server version of the commonly distributed normal Osx releases ? I have not done it yet but I do think many of the issues mentioned regarding NFS/NIS could be addressed there. Regarding the missing macpro

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Anastassis Perrakis
We did work with a full blown OSX Server in 2004 - indeed many issues on NFS were Ok, but NIS was a problem - or we could not figure it out. We used it as server for developers, running X-grid, SVN, WebObjects servers for a couple of EC networks, but never deployed it fully as a

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Dmitry Rodionov
We have 10.510.6 servers and briefly tested 10.7 server. Last time I tried, Ubuntu 12.04 box would not authenticate users registered on the OS X Open Directory server. Before that, 10.04 clients would cause random user lockouts. NFS GUI is gone as of 10.7 Regards, Dmitry On 2013-01-23,

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Sidhu, Khushwant S. (Dr.)
Hi, I'm running a mac mini server. The file sharing seems to work fine - I'm not running NIS. There is a lag in software starting up - up to 20-30 s but once the software is loaded, it runs fine. We did some benchmarking with phaser last week there was no perceivable difference in running it

[ccp4bb] Crystallography Near Absolute Zero?

2013-01-23 Thread Jacob Keller
Is anyone aware of any datasets taken at near absolute zero? I was wondering what would happen... Jacob -- *** Jacob Pearson Keller, PhD Postdoctoral Associate HHMI Janelia Farms Research Campus email: j-kell...@northwestern.edu

Re: [ccp4bb] Crystallography Near Absolute Zero?

2013-01-23 Thread David Schuller
On 01/23/13 10:11, Jacob Keller wrote: Is anyone aware of any datasets taken at near absolute zero? I was wondering what would happen... http://www.ncbi.nlm.nih.gov/pubmed/12718921 New techniques in macromolecular cryocrystallography: macromolecular crystal annealing and cryogenic helium.

Re: [ccp4bb] Mac mini advice

2013-01-23 Thread Chris Richardson
On 23 Jan 2013, at 14:05, Bosch, Juergen wrote: I assume nobody of you is running an actual Osx server ? I mean the upgrade to a full server version of the commonly distributed normal Osx releases ? At the moment we have two OS X servers. One runs open directory for user authentication.

[ccp4bb] 2013 ACA meeting - speakers for undergraduate research session

2013-01-23 Thread Roger Rowlett
CCP4BB members, I am writing to recruit protein crystallographers who work with undergraduate students to consider submitting an abstract to present a short talk at the 2013 American Crystallographic Association Meeting (July 20-24, Honolulu, HI) in our session, (13.08) Building Protein and

Re: [ccp4bb] Crystallography Near Absolute Zero?

2013-01-23 Thread Bryan Lepore
Coming next : Negative Absolute Temperature for Motional Degrees of Freedom http://m.sciencemag.org/content/339/6115/52

[ccp4bb] scala, cad, free flag

2013-01-23 Thread wtempel
isomorphism? Did anyone else come across this behavior? Could it be intended? Best regards, Wolfram Tempel cad.20130123.log Description: Binary data

[ccp4bb] GPCR DOCK 2013 announcement

2013-01-23 Thread Maggie Gabanyi
Since there may some on this bb who have modelers as colleagues... On behalf of the PSI GPCR Network group: -- Dear GPCR modeling and docking researcher, We are writing to announce the 3rd round of the GPCR Docking and Modeling Assessment, GPCR Dock 2013, and to

[ccp4bb] off topic - legacy hardware help needed

2013-01-23 Thread Dave Roberts
Hi all, By the way, thanks for all the suggestions on the linux versions. I went against my better judgement and just stuck with Fedora, mainly because I'm familiar with it. I have to admit, I kind of like it. I was able to get it up and running, run nfs to mount local drives, and install

Re: [ccp4bb] off topic - legacy hardware help needed

2013-01-23 Thread Johan Hattne
On 23 Jan 2013, at 16:07, Dave Roberts drobe...@depauw.edu wrote: Anyway, we have an old Indigo SGI that runs our NMR. It's a console only system, and we access it via the network from another old SGI (toaster model - blue). The console does not have a video card (nor space for one), so I