Re: [ccp4bb] poorly diffracting and twinned trigonal crystal

2012-09-06 Thread Qing Luan
I have a ~4.3 angstrom data set of a trigonal crystal of a seven subunit protein complex which I can scale in P3, P31, P32, P321, P3121 and P3221 with similar statistics: P3 Shell Lower Upper Average Average Norm. Linear Square limitAngstrom I error stat. Chi**2 R-fac R

Re: [ccp4bb] installation in sw or sw64?

2012-09-06 Thread Marco Lolicato
Hi Bill, First of all I would try to completely uninstall (via fink) both ccp4 and coot. In fact the problem is not the location of the programs per se, but the conflict between different versions of the same program. Fink can update the softwares, but not when you rebuild the whole system. Anyway,

[ccp4bb] installation in sw or sw64?

2012-09-06 Thread William N. Zagotta
I decided to upgrade my MacBook Pro to OS X 8.0 (previously 10.6), and update my coot and CCP4 programs at the same time (now seems like a bad idea). I use the precompiled library from the Scott Lab, so I followed the directions on his website. I did the following: Installed new X11 (from Xqu

Re: [ccp4bb] Protein volume

2012-09-06 Thread Francisco Hernandez-Guzman
Hi Theresa, You can use our free Discovery Studio Visualizer: http://accelrys.com/products/discovery-studio/visualization-download.php You can select the region of choice (in your case the transmembrane domain) and create a surface around it (Structure -> Surface -> Add). Then in the Molecular

[ccp4bb] CCP4 Update

2012-09-06 Thread eugene . krissinel
Dear CCP4 Users, Following the release of ccp4 6.3.0, CCP4 core team sets up an update mechanism for moderate modifications of Suite's components between the releases. It is expected that updates will be essential for CCP4 maintenance and will make patch releases less frequent or even redundant

[ccp4bb] Fwd: 20 Research positions - Ikerbasque

2012-09-06 Thread F.Xavier Gomis-Rüth
  Ikerbasque, the Basque Foundation for Science (Europe), would like to inform you that we have launched an international call to attract 20 senior researchers to the Basque Country (permanent p

Re: [ccp4bb] protein interactions

2012-09-06 Thread Jacob Keller
I know this isn't exactly your question, but it doesn't really take that long to clone, express, and purify things nowadays--a few days, even? Also, won't you be doing this anyway? So why not cut out the middle-man? Or, better still, in your cloning downtime, do the software stuff. JPK On Thu,

Re: [ccp4bb] protein interactions

2012-09-06 Thread mohammad
Hi Careina, In answer to your first question you could also try the iPATCH server: http://portal.stats.ox.ac.uk/userdata/proteins/i-Patch/home.pl This takes two reference structures for proteins that interact, and combined with multiple sequence alignments of their homologs attempts to predict

Re: [ccp4bb] scala & scaleit problems - GUI bug???

2012-09-06 Thread Eleanor Dodson
Like Tim says SORTMTZ expects a different format used for unmerged reflection lists. And I think this space in the filename causes the SCALEIT problem - linux operating systems often treat spaces as filename terminators.. But the " … " marks around a file name are meant to override the space

[ccp4bb] DEADLINE TOMORROW: Murnau Conference 2012 on Structural Biology of Molecular Transport

2012-09-06 Thread Christine Bentz
Dear colleagues, the registration deadline for the Murnau Conference 2012 on Structural Biology of Molecular Transport is 7 September- TOMORROW! Please take this last chance to register: http://www.murnauconference.de/2012/registration.html. Murnau Conference 2012 on Structural Biology of Molec

Re: [ccp4bb] Protein volume

2012-09-06 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear, you should split the structure into several PDB-files and use the program 'volume' on each. Tim On 09/06/2012 09:58 AM, Theresa Hsu wrote: > Dear all > > I have two membrane protein structures. Is there any tool to > calculte the volume of

Re: [ccp4bb] protein interactions

2012-09-06 Thread David Waterman
Hi Careina, For the first question, it sounds as though IBIS would do what you want: http://www.ncbi.nlm.nih.gov/Structure/ibis/ibis.cgi. It will also try to answer your second question, although sequences are compared to known structures, so if your sequence is dissimilar to anything in the PDB i

[ccp4bb] Protein volume

2012-09-06 Thread Theresa Hsu
Dear all I have two membrane protein structures. Is there any tool to calculte the volume of transmembrane domain and solublle domain separately for comparison? Thank you.