Re: [ccp4bb] Faculty positions at Molecular Biophysics Unit, IISc, Bangalore

2012-10-30 Thread vellieux
Hello, Indeed, rigged positions do exist. In places where it is compulsory to advertise positions but where the person who will get the job has been selected in advance and is known already at the time the job advertisement appears. This does happen in several countries worldwide. I do not a

[ccp4bb] Call for abstracts: Structural Biology in the BioEconomy (SBBE) 2012

2012-10-30 Thread Amanda Dominy
A conference on “*Structural Biology for the Bioeconomy: Infectious Diseases and Biotechnology*” will be held at the *University of Cape Town* from *1 December to 2012 to 4 December 2012*. The conference will immediately precede the annual conference of the Microscopy Society of Southern Africa (4

Re: [ccp4bb] Faculty positions at Molecular Biophysics Unit, IISc, Bangalore

2012-10-30 Thread Nicholas keep
I think Fred is overstating the problem of compulsory adverts. There are also cases where the expected "pre-selected" candidate does not get the job as a better candidate appears. There are also cases where there is eventually no job for anyone. Another outcome of an interview is you don't get

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2012-10-30 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Kavya, given the test is written in proper English with proper grammer etc., I think you are actually asking for censorship. I am happy ccp4bb does not censor such emails, be they in accordance with one's opinion or not! Best, Tim On 10/30/2012

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2012-10-30 Thread Kavyashree Manjunath
Dear Sir, I agree to that. But I presume that this is a platform to discuss scientific problems and not a forum to discuss or pour out personal frustrations. There may be other channels for such grievances but not this. I was just hoping this does not become a social network wherein everyone are f

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2012-10-30 Thread David Waterman
Dear Kavya, The CCP4BB is a closed community, in the sense that a user must subscribe to the list before being able to post and that subscription requests are handled manually rather than being granted by default. This is generally sufficient to stop spam, irrelevant advertisements and blatant "tr

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2012-10-30 Thread Garib N Murshudov
Dear all Could we stop at this point. regards Garib On 30 Oct 2012, at 18:35, Kavyashree Manjunath wrote: > Dear Sir, > > I agree to that. But I presume that this is a platform to > discuss scientific problems and not a forum to discuss or > pour out personal frustrations. There may be oth

Re: [ccp4bb] Orientation of the crystal and it importance in data collection

2012-10-30 Thread Vijayakumar.B
Dear Professor, Thank you very much for suggestion. With kind regards B.Vijayakumar On Mon, Oct 29, 2012 at 5:13 PM, Peter Keller wrote: > Dear Tim and B. Vijay, > > On Mon, 2012-10-29 at 12:02 +0100, Tim Gruene wrote: > > Dear B. Vijay, > > > > for single-wavelength (as opposed to Laue) X-ray

Re: [ccp4bb] how to find and add water molecules in electron density map in coot??

2012-10-30 Thread Eleanor Dodson
Read the manual? !! There is a menu under Other modelling tools" with a task - Add waters. That will scan the map and add waters conservatively. Or you can use the validation tool. Find difference map peaks, and decide for yourseld whether they are waters. If you like the peak click Add atom at poi

Re: [ccp4bb] Faculty positions at Molecular Biophysics Unit, IISc, Bangalore

2012-10-30 Thread Toufic El Arnaout
There is a big difference between reading "does not discriminate on the basis of race, color, religion, sex, age, sexual orientation, marital status, national origin, disability, or status as a disabled, Vietnam-era, or other eligible veteran" and "below 35 years". Then regarding Prof. Chitta's rep

[ccp4bb] Phaser MR with partial solution, 8 molecules/ASU

2012-10-30 Thread Jacob Wong
Dear all, I have this (3.0 A) structure that has 8 molecules per ASU - Phaser was able to find 7 molecules correctly, but not the last one, as indicated by the .sol file (TFZ=5.1) below and the resultant density map. I tried to delete the entry of the last molecule and give the truncated .sol file

Re: [ccp4bb] Phaser MR with partial solution, 8 molecules/ASU

2012-10-30 Thread Nat Echols
On Tue, Oct 30, 2012 at 7:44 AM, Jacob Wong wrote: > Dear all, I have this (3.0 A) structure that has 8 molecules per ASU - > Phaser was able to find 7 molecules correctly, but not the last one, as > indicated by the .sol file (TFZ=5.1) below and the resultant density map. I > tried to delete the

Re: [ccp4bb] Phaser MR with partial solution, 8 molecules/ASU

2012-10-30 Thread Mark J van Raaij
if you are sure about it's position, why not put the 8th molecule by hand? why believe what a program does more than you can see by eye? (this is nothing against Phaser, it is a great program) Mark J van Raaij Laboratorio M-4 Dpto de Estructura de Macromoleculas Centro Nacional de Biotecnologia -

[ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-30 Thread Eike Schulz
Dear Coot-users, I am running Coot-0.7 on OSX 10.6.8. Installation from the 'Scott'-package was no problem at all ­ it runs very smoothly. However, whenever I want to save the coordinates the saving dialog open -behind- the main window. To be more precise: the coordinate molecule selector opens i

Re: [ccp4bb] Phaser MR with partial solution, 8 molecules/ASU

2012-10-30 Thread Patrick Loll
Are you sure that there are actually 8 molecules in the AU? I have on more than one occasion calculated the expected number of protomers based on Matthews' coefficient, only to find the solvent content is higher than I bargained for. This thought is stimulated by the fact that the solvent conten

[ccp4bb] Fwd: email received from Nick Keep...

2012-10-30 Thread vellieux
With permission from Nick Keep to forward to the bb which I am doing right now :-) If I may add: an organization advertising for a rigged job but not reimbursing the candidate's expenses is, in my opinion, wrong doing. I have never seen this happen in the UK but this has happened elsewhere...

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-30 Thread Antony Oliver
Eike - This unfortunately, is a well-known "feature" of coot on OS X - something to do with Apple's implementation of X11. Perhaps Paul knows if this happens on Mountain Lion, now that you need to use Quartz X11? Tony. --- Dr Antony W Oliver Senior Research Fellow CR-UK DNA Repair Enzymes G

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-30 Thread Ronnie Berntsson
Yes, it's still happening on Mountain Lion. Cheers, Ronnie -- Dr. Ronnie Berntsson PostDoctoral Fellow Department of Biochemistry and Biophysics Arrhenius Laboratories for Natural Sciences Stockholm University 10691 Stockholm Sweden On Oct 30, 2012, at 16:51 , Antony Oliver wrote: >

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-30 Thread Damian Niegowski
If you choose to use the excellent Mac OSX feature Exposé and Active screen corners this becomes less of a problem. Damian Niegowski Ph.D. Institute of Medical Biochemistry and Biophysics Karolinska Institutet Scheeles väg 2 171 77 STOCKHOLM e-mail: damian.niegow...@ki.se phone: 0046 8 5

Re: [ccp4bb] Faculty positions at Molecular Biophysics Unit, IISc, Bangalore

2012-10-30 Thread Qing Lu
I do not think "prof" Chitta Das understands the meaning of Equal Employment Opportunity (EEO) in US. If Purdue which is an EEO institute had followed the criteria of "below 35 years age" to select assistant profs then he would not have served as an Assistant Prof today. On Tue, Oct 30, 2012 at 5:

[ccp4bb] ResearchGate?

2012-10-30 Thread Adrian Goldman
Hi, At the risk of starting another series of rants, and somewhat off-topic, is anyone actively using ResearchGate? It is bombarding me with email messages, but I am uncertain as to whether people are really using it or whether it is just scientific spam.

[ccp4bb] oof topic: pH effect on substrate analog

2012-10-30 Thread Peter Hsu
Hi all, I'm working on a protein that I recently got crystals of. My functional studies show that the protein has optimal activity at lower pHs, while losing >90% activity at about pH8. I've been trying to soak/cocrystallize a substrate analog (small molecule) into my crystals (grown at ~pH8) w

Re: [ccp4bb] oof topic: pH effect on substrate analog

2012-10-30 Thread Herman . Schreuder
Dear Peter, You could check your putative binding site to see if there are charged groups which need to be protonated for your substrate analog to bind (or whether the substrate analog needs to be protonated). In order to draw physiologically relevant conclusions, you would need a crystal structur

Re: [ccp4bb] ResearchGate?

2012-10-30 Thread David Briggs
Hello Adrian, I use Research Gate and there are a few occasions where I have found it useful, particularly the "questions" feature. HTH, Dave David C. Briggs PhD http://about.me/david_briggs On 30 October 2012 16:13, Adrian Goldman wrote: > Hi, > > At the risk of

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2012-10-30 Thread Chittaranjan Das
I agree with Garib that we should stop this, because nothing productive seems to be coming out of this discussion. I however like to clarify one thing about the comment I made about agism. I merely intended to interpret what the age limit preference means in the context of Government of India's

Re: [ccp4bb] oof topic: pH effect on substrate analog

2012-10-30 Thread Chittaranjan Das
Peter, I think it would depend if the substrate analog have ionizable groups? If the analog does not have ionizable groups, it is hard to imagine how the the titration of ionizable groups on the protein would impair the binding. Chitta - Original Message - From: "Peter Hsu" To: CC

Re: [ccp4bb] oof topic: pH effect on substrate analog

2012-10-30 Thread Roger Rowlett
As for most questions in science, the answer is unfortunately "it depends." A substrate analog may bind just peachy at a pH in which the enzyme is inactive, depending on what interactions are involved in stabilizing the analog compared to the substrate transition state. Such a complex may stil

[ccp4bb] Ca or Zn

2012-10-30 Thread Kumar, Veerendra
Dear CCP4bb users, I am working on a Ca2+ binding protein. it has 4-5 ca2+ binding sites. I purified the protein in presence of Ca2+ and crystallized the Ca2+ bound protein. I got crystal and solved the structure by SAD phasing at 2.1A resolution. I can see the clear density in the difference

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Bosch, Juergen
calculate an anomalous map, you should see the Zn signal even if you collected at the SeMet peak. Jürgen .. Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Jim Pflugrath
How would you distinguish between a mixture of Ca and Zn in the same locations? From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Kumar, Veerendra [veerendra.ku...@uconn.edu] Sent: Tuesday, October 30, 2012 1:55 PM To: CCP4BB@JISCMAIL.AC.UK Su

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Nat Echols
On Tue, Oct 30, 2012 at 12:12 PM, Jim Pflugrath wrote: > How would you distinguish between a mixture of Ca and Zn in the same > locations? How often would they be likely to bind in the same place? Some of the other transition metals are difficult to tell apart, but Ca and Zn have very different

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Robbie Joosten
Dear Kumar, If you build the sites as Ca2+, you can use a few things for validation: - Ca2+ ions are exclusively coordinated by oxygens - The bond valance method (implemented in e.g. WASP and WHAT_CHECK) can be used to check whether a calcium ion makes sense. Do this before (reciprocal space) refi

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-30 Thread Jason Busby
Another work-around is to use the command-tilde (⌘ + ~) keystroke. That will cycle through all the windows of the current program. Jason. -- Jason Busby PhD Student Laboratory of Structural Biology School of Biological Sciences University of Auckland Thomas Building 110 3a Symonds St Private Ba

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread David Schuller
On 10/30/12 15:02, Bosch, Juergen wrote: calculate an anomalous map, you should see the Zn signal even if you collected at the SeMet peak. Jürgen .. Ca can have a noticeable anomalous signal of its own, if your data are good. If the possibility to collect new data exists,

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Bosch, Juergen
If you calculate an edgeplot via Ethan's server: http://skuld.bmsc.washington.edu/scatter/AS_form.html you'll see that Zn @1Å has about 3 anomalous electrons whereas Ca less than 1, so assuming occupancy of 1 the stronger anomalous signal should give you a hint, second looking at the refined B-va

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread James Holton
Do occupancy refinement. Especially if you use the new "anomalous refinement" option available in refmac, phenix.refine and other packages as well, you should be able to get a pretty reliable number for how many "real electrons" as well as "anomalous electrons" are at each site. At almost any

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2012-10-30 Thread aaleshin
Chita, I disagree that the age limitation for an entry level job does anything good to a society. It gives a clear advantage to graduates from a few prestigious universities, because less fortunate students would need more time to develop their careers, no matter how talented they are. So, a com

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Chittaranjan Das
Veerendra, You can rule out if zinc has replaced calcium ions (although I agree with Nat and others that looking at the coordination sphere should give a big clue) by taking a few crystals, washing them a couple of times and subjecting them to ICP-MS analysis, if you have access to this techni

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Adrian Goldman
This doesn't really give a useful answer. It tells you the overall composition, but there is no means of knowing whether the metal ions are equally present at all sites: some sites can favour Zn over Ca and vice versa. Flame spectroscopy also works but has the same issue - and both have the p

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Ethan Merritt
On Tuesday, October 30, 2012 01:44:43 pm Adrian Goldman wrote: > The coordination is indicative but not conclusive but, as I responded to the > original poster, I think the best approach is to use anomalous scattering. > You can measure just below and above the Ca edge, Actually, you can't.

[ccp4bb] refmac

2012-10-30 Thread jp d
hi, i have a large pdb file and i keep getting this error with refmac ERROR: number of chains >  1500 i suspect something needs to be done to my pdb any suggestions ? thanks jpd

Re: [ccp4bb] refmac

2012-10-30 Thread jp d
hi, answering my own question, but maybe this will save some searching in the future, the error was related to 3 letter RNA codes refmac doesn't like that. jpd --- On Tue, 10/30/12, jp d wrote: From: jp d Subject: [ccp4bb] refmac To: CCP4BB@JISCMAIL.AC.UK Date: Tuesday, October 30, 2012, 3:43

Re: [ccp4bb] refmac

2012-10-30 Thread Garib N Murshudov
Hi Refmac use one letter code for RNA and two letter for DNA. Otherwise each residue is considered as one chain (if there is no link between them). I hope it helps. regards Garib On 31 Oct 2012, at 08:05, jp d wrote: > > hi, > answering my own question, but maybe this will > save some sear

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Jrh
This paper describes use of data either side of the calcium edge:- http://dx.doi.org/10.1107/S0907444905002556 This next paper describes a case of gallium and zinc mix at one site with occupancy AND sigmas estimated with different software. This example is however much better diffraction resolu

Re: [ccp4bb] Ca or Zn

2012-10-30 Thread Ethan Merritt
On Tuesday, 30 October 2012, Jrh wrote: > This paper describes use of data either side of the calcium edge:- > > http://dx.doi.org/10.1107/S0907444905002556 I think that counts as "not amenable" (which is not quite the same as "impossible". From the Methods section of that paper: Measurements