[ccp4bb] Observed criterion sigma(I|F)

Hi Folks, A xia2 user wrote in asking where to find 'observed criterion sigma(F)' and 'observed criterion sigma(I)' in the xia2 logs (i.e. from Scala or Aimless or XSCALE)... I have no idea what they are so will struggle to give a helpful answer ;o) and surprisingly google was not a lot of use c

Re: [ccp4bb] Observed criterion sigma(I|F)

Hi Graeme, There was a CCP4BB thread about this quite recently (14th Nov 2013). I've coped below responses from Edward Berry and Matthew Franklin. SCALA & AIMLESS have no sigma cutoffs, but TRUNCATE does. According to the documentation, reflections with intensities less than minus 4 standard

Re: [ccp4bb] Observed criterion sigma(I|F)

Thanks Andrew, slight feeling of embarrassment now that this was a thread two weeks ago (though this was off the bottom of the ccp4bb folder and did not 'google' in my defense... I guess I was also looking in the wrong place...) Best wishes, Graeme On 25 November 2013 11:15, Andrew Leslie wro

[ccp4bb] CCP4 Study Weekend - Diamond MX User Meeting programme

Dear colleagues, the CCP4 Study Weekend - Diamond MX User Meeting programme is now available at the following web site: http://www.cse.scitech.ac.uk/events/CCP4_2014/UserMeeting.html We hope that you will find the programme interesting and that we will see you at the meeting which takes place F

[ccp4bb] Web site for the list of european macromolecular crystallographers

Hi, We have been maintaing a list of european (and a few outlying countries) macromolecular crystallographers on the Web for ca. 10 years. This list is updated annually and contains relevant addresses and emails ordered by countries and labs. Since the list keeps growing and entails more work

[ccp4bb] CPRODRG segfault on Mac OS X 10.9,

Hi all, I have recently been trying to use the LIDIA ligand-viewer of Coot, which calls cprodrg. I am running CCP4 6.4.0 with all the latest updates on a Macbook Air (mid-2012 model) with OS X 10.9 installed and the latest nightly build of coot (r4833). Unfortunately, when I run cprodrg either

Re: [ccp4bb] Water or ion

Dear All: Many thanks for your comments and inputs! Uma On Sat, Nov 23, 2013 at 7:14 PM, Uma Ratu wrote: > Dear All: > > > I use Coot to check water molecules in my model. > Most of them are in good coordinates for water. > > Some of these waters have unusual coordinates. > > For example, one

Re: [ccp4bb] CPRODRG segfault on Mac OS X 10.9,

Dear All, CCP4 Core Group is aware of the issue and is looking into it. Once fixed, new cprodrg will be put into update. Thank you, Eugene Krissinel On 25 Nov 2013, at 13:46, Oliver Clarke wrote: > Hi all, > > I have recently been trying to use the LIDIA ligand-viewer of Coot, which > calls

[ccp4bb] Ligandfit - problem with ligand_start

Dear all, I am working on a membrane protein covalently bound to a molecular antanna: it is known that this molecule binds to lysine residue but I do not know how many and which lysine residues it binds. 20 diffraction datasets of this protein-ligand complex have been obtained and now, I wo

Re: [ccp4bb] Ligandfit - problem with ligand_start

Hi Danilo, I'll answer you on the Phenix mailing list! All the best, Tom T On Nov 25, 2013, at 8:14 AM, Danilo Belviso wrote: > Dear all, > > I am working on a membrane protein covalently bound to a molecular antanna: > it is known that this molecule binds to lysine residue but I do not know ho

[ccp4bb] ESRF Users' Meeting & Associated Structural Biology Workshop Deadline for registration: Tuesday 21 January 2014

Please check the announcement for 2014 ESRF Users' Meeting & Associated Structural Biology Workshop. Invitation to the 2014 ESRF Users' Meeting & Associated Workshops to meet and discuss with fellow users, get inspired, establish new scientific collaborations and learn about future opportunitie

Re: [ccp4bb] CPRODRG segfault on Mac OS X 10.9,

Dear All as Eugene says this will go into an update, but until then there is a probable fixed binary at ftp://ftp.ccp4.ac.uk/ccp4/6.4.0/updates/osx/cprodrg Charles Ballard On 25 Nov 2013, at 14:03, Eugene Krissinel wrote: > Dear All, > > CCP4 Core Group is aware of the issue and is looking i

[ccp4bb] Refinement of data with pseudo translation symmetry

Dear All, Does any body know if the existence of pseudo translation symmetry will affect refinement ? If it does, is there any keyword or method to avoid it? Thanks! Best, Niu

Re: [ccp4bb] Observed criterion sigma(I|F)

I would note that the cutoff in HKL must be a somewhat different statistic than that in truncate, since the former is applied to individual measurements (observations?) before averaging, while truncate normally never sees the individual measurements but only the averages. Ed Andrew Leslie wrote

[ccp4bb] postdoctoral position - structural biology of microtubule regulators

*Postdoctoral Fellow – structural biology * *Cell Biology and Biophysics Unit, National Institutes of Health* A postdoctoral fellow position is available in the Cell Biology and Biophysics Unit headed by Dr. Antonina Roll-Mecak to work on structural studies of microtubule regulators. Research i