Re: [ccp4bb] Substrate/Ligand Induced Oligomerization of enzymes

2013-08-08 Thread Tanner, John J.
Jaffe's morpheeins might be of interest to you. Here is one paper: http://www.ncbi.nlm.nih.gov/pubmed/15710608 Sent from Jack's iPad On Aug 8, 2013, at 7:21 PM, "Shiva Bhowmik" wrote: > Dear All, > > I am looking for references and/or example of substrate or ligand induced > oligomerizati

Re: [ccp4bb] Substrate/Ligand Induced Oligomerization of enzymes

2013-08-08 Thread Bosch, Juergen
FKBP ? http://www.pnas.org/content/97/13/7096.full.pdf Jürgen On Aug 8, 2013, at 8:03 PM, Shiva Bhowmik wrote: > Dear All, > > I am looking for references and/or example of substrate or ligand induced > oligomerization of enzymes related to activation. > > Any help in this regard would be gre

[ccp4bb] Substrate/Ligand Induced Oligomerization of enzymes

2013-08-08 Thread Shiva Bhowmik
Dear All, I am looking for references and/or example of substrate or ligand induced oligomerization of enzymes related to activation. Any help in this regard would be greatly appreciated. Thanks. Shiva

Re: [ccp4bb] TLS refinement and ANISOU records

2013-08-08 Thread Ethan Merritt
On Thursday, August 08, 2013 01:51:34 pm Omid Haji-Ghassemi wrote: > Dear Robbie, Marcus and Reginald, > > Thanks again for your replies, I truly appreciate the help. > > The B-factors was set to 20 when performing TLS refinement so I don't > think that is the problem. > > I also tried Marcus's

Re: [ccp4bb] TLS refinement and ANISOU records

2013-08-08 Thread Omid Haji-Ghassemi
Dear Robbie, Marcus and Reginald, Thanks again for your replies, I truly appreciate the help. The B-factors was set to 20 when performing TLS refinement so I don't think that is the problem. I also tried Marcus's suggestion using output from coot, with no luck. The only thing left to try is to

Re: [ccp4bb] TLS refinement and ANISOU records

2013-08-08 Thread Robbie Joosten
Hi Omid, Sometimes the choice of TLS groups and to a lesser extent the initial B-factor matter a lot. You should try a few other TLS group selections and see if these give nicer results. Things to try: TLSMD, including or excluding ligands and carbohydrates, other common-sense or gut-feeling st

Re: [ccp4bb] TLS refinement and ANISOU records

2013-08-08 Thread Omid Haji-Ghassemi
Dear Ethan, Thank you for your reply. I will try to review my refinement protocol once more; however, I am still perplexed at what lies at the heart of the problem. Overestimation of average B-factor using TLS is perfectly sound, but I am not sure why all my structures the average increases trem

Re: [ccp4bb] TLS refinement and ANISOU records

2013-08-08 Thread Ethan Merritt
On Thursday, August 08, 2013 11:39:22 am Omid Haji-Ghassemi wrote: > Dear all, > > I was about to deposit a few structures to the pdb when I noticed the mean > B-factors were larger than one might expect. > > All the structures were refined using TLS refinement. > > During refinement in Refmac t

[ccp4bb] TLS refinement and ANISOU records

2013-08-08 Thread Omid Haji-Ghassemi
Dear all, I was about to deposit a few structures to the pdb when I noticed the mean B-factors were larger than one might expect. All the structures were refined using TLS refinement. During refinement in Refmac the average temperature factors for each structure is reasonable. For example, a str

Re: [ccp4bb] mmCIF as working format?

2013-08-08 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Paul, my email was meant to be provocative but neither insulting nor offensive (having provoked quite a few responses when I last used the word 'offense' this email does not suffer from a subtle misinterpretation of mine while not using my mother

Re: [ccp4bb] mmCIF as working format?

2013-08-08 Thread Paul Adams
Tim, I'm sure your email was tongue-in-check, but it's provocative nevertheless. I suspect that Nat's point was that scientific software developers (who are predominantly scientists of course) are helpful people who want to see their field of research be successful. If it is possible to spend

Re: [ccp4bb] mmCIF as working format?

2013-08-08 Thread Phil Jeffrey
On 8/7/13 8:27 PM, Ethan Merritt wrote: That would be a bug. But it hasn't been true for any version of coot that I have used. As you say, this is a common thing to do and I am certain I would have noticed if it didn't work. I just checked that it isn't true for 0.7.1-pre. Thanks. Turns out I

Re: [ccp4bb] Advice on setting up / maintaining a Ubuntu cluster

2013-08-08 Thread Sergei Strelkov
I wanted to thank everyone who responded, for a whole bunch of advice and suggestions! Sergei On 29-Jul-13 12:22 PM, Sergei Strelkov wrote: Dear all, In old times I, just like about any protein crystallographer, used to work on a cluster of SGI/IRIX workstations with complete NFS-based cros

Re: [ccp4bb] Problems with SANS data analysis

2013-08-08 Thread Kushol Gupta
I agree with Ed's suggestion - the folks on that forum are very helpful and very insightful with regards to small-angle scattering. Some thoughts to offer: Mark - it's hard to evaluate from the Primus screen shots, simply because Primus is not rendering the experimental noise. I'd suggesti

[ccp4bb] PhD program at the Free University of Bolzano (Italy)

2013-08-08 Thread Benini Stefano (P)
Dear All, a new call for applicants for a PhD fellowship at the Free University of Bolzano is now out. Please follow the link http://www.unibz.it/en/public/research/phd/Documents/bando_dottorati_29esimo_ciclo_en.pdf A suitable candidate will be selected for a position in my group at the Facul

Re: [ccp4bb] mmCIF as working format?

2013-08-08 Thread Robbie Joosten
Apart from editors we also need tools to validate mmCIF files for integrity, similar to what W3C has for (x)html and css. I've mostly dealt with mmCIF reflection files so my experience with what can go wrong is limited. So far, I encountered these 'issues' that may be flagged. 1) Data items giv

[ccp4bb] Call for MX-beamtime proposals at HZB-BESSY, deadline September 1, 2013 is approaching

2013-08-08 Thread Müller , Uwe
Next MX-proposal application deadline: September 1, 2013 is approaching The Pilatus 6M is operational at BL14.1, which leads to a substantial performance increase of this station Single 8h beamtime bookings are now possible We kindly invite new MX-proposals for beamtime applications for the next

Re: [ccp4bb] mmCIF as working format?

2013-08-08 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On 08/07/2013 11:54 PM, Nat Echols wrote: > PLEASE tell the developers what you need to get your job done; we > can't read minds. > > -Nat > Dear Nat, I have a student working for me until the end of the month. I asked her to calculate the mean

Re: [ccp4bb] mmCIF as working format?

2013-08-08 Thread Phil Evans
I hope that some [X]Emacs expert can rewrite Charlie Bond's wonderful pdb-mode to work with mmCIF files (or at least the coordinate bits) … for exactly the reasons Phil Jeffrey points out Phil On 8 Aug 2013, at 00:54, "Jeffrey, Philip D." wrote: > Nat Echols wrote: > > Personally, if I need