Re: [ccp4bb] Cauliflower looking crystals

2013-05-06 Thread David Schuller
I haven't seen cauliflower but I have seen brussel sprouts. Condtions (esp. pH) were changing over the course of crystallization, and the stalks and sprouts were different crystal forms. On 05/06/13 06:17, Browning Christopher wrote: Hi Everybody, I was wondering if anybody had a similar

Re: [ccp4bb] Diffraction image viewer with display of resolution circles

2013-05-23 Thread David Schuller
The version of ADXV we have has some nice resolution ring features. There is a mode with the typical 5 rings of evenly spaced resolution. There is Anchor1 which draws a circle about the beam centre and through a selected point. There is Pick3 which constructs a circle from 3 selected points.

Re: [ccp4bb] atomic coloring for the color blind

2013-06-01 Thread David Schuller
How about Braille for those who are blind to all colours? -- === All Things Serve the Beam === David J. Schuller

Re: [ccp4bb] Extracting .pdb info with python

2013-06-06 Thread David Schuller
You could use FORTRAN. It's good at formatted I/O. On 06/06/13 00:37, GRANT MILLS wrote: Dear CCP4BB, I'm trying to write a simple python script to retrieve and manipulate PDB data using the following code: #for line in open(PDBfile.pdb): #if ATOM in line: #column=line.split() #

[ccp4bb] Stereo images

2013-07-04 Thread David Schuller
http://io9.com/rare-3d-camera-found-containing-photos-from-wwi-669397198 Rare 3D Camera Found Containing Photos from WWI http://io9.com/rare-3d-camera-found-containing-photos-from-wwi-669397198 -- === All Things Serve the

Re: [ccp4bb] 5D data storage

2013-07-12 Thread David Schuller
It seems like every couple of years I see an article about a new high density optical format. Then they don't make it to the marketplace. I think it has something to do with resistance from the music movie business over piracy concerns. But anyway, I have learned not to get too excited until

Re: [ccp4bb] non-diffracting xtals

2013-08-19 Thread David Schuller
On 08/19/13 16:49, Mahesh Lingaraju wrote: Hello people I recently obtained hexagonal rod like crystals (150x50x20 um) which turned out to be non diffracting. What is the usual convention for cases like this ? do people usually give up on the condition or still try to optimize it ? It

Re: [ccp4bb] About molecular replacement

2013-09-12 Thread David Schuller
Perhaps some correct solutions were thrown out due to packing considerations. There are a few methods to address that possibility. You could use a search model with large loops trimmed, especially is a sequence comparison shows they are probably not conserved. Or you could search with a

Re: [ccp4bb] bluetooth monitor

2013-10-29 Thread David Schuller
IMHO Bluetooth is way too slow for a monitor connection. On 10/29/2013 01:05 PM, Brett, Thomas wrote: Hi all: I was wondering if anyone had economical suggestions on a bluetooth LED or LCD monitor. I would like to have a wall mounted monitor that one could easily connect laptops and imacs to

Re: [ccp4bb] bluetooth monitor

2013-10-29 Thread David Schuller
The best technology would be Wigig, but I don't think it's on the market yet. Some wireless monitor connection solutions appear to be available using Intel WiDi and Miracast. Check your favourite vendor for availability and requirements. On 10/29/2013 01:05 PM, Brett, Thomas wrote: Hi

[ccp4bb] Fourier transforms

2013-11-18 Thread David Schuller
http://nautil.us/blog/the-math-trick-behind-mp3s-jpegs-and-homer-simpsons-face The Math Trick Behind MP3s, JPEGs, and Homer Simpson's Face Posted By Aatish Bhatia on Nov 06, 2013 -- === All Things Serve the Beam

[ccp4bb] Fred Sanger obit

2013-11-20 Thread David Schuller
http://www.bbc.co.uk/news/science-environment-25020112 Frederick Sanger: Double Nobel Prize winner dies at 95 -- === All Things Serve the Beam ===

Re: [ccp4bb] Stereo monitor

2013-11-21 Thread David Schuller
On 11/21/13 07:50, mesters wrote: ...(both handle the dual link DVI-D standard)... Are there any monitors on the market yet which can produce stereo 3D from a Displayport 1.2 input? With or without a built-in emitter. --

[ccp4bb] Heavy atom sites

2013-12-15 Thread David Schuller
I have some SIRAS data of a known structure. I want to get the isomorphous and anomalous occupancy and phasing power from my data. What's the best software to do this? -- === All Things Serve the Beam

Re: [ccp4bb] A question on crystal optimization

2013-12-25 Thread David Schuller
I don't know why you would concern yourself with the outward morphology of the crystal, rather than its diffraction quality. I have grown some gorgeous little gems which did not diffract well. On 12/24/13 23:49, Acoot Brett wrote: Dear All, I am optimizing a crystal. In one of the

Re: [ccp4bb] Phasing with Many Monomers/AU

2014-01-20 Thread David Schuller
Is the monomer the biggest unit you have to search with? If there is a dimer, tetramer, etc. that is conserved, you could try searching with that. On 01/19/14 14:30, Chris Fage wrote: Thank you all for your responses. I already have a few ideas about how to approach the problem. One of my

Re: [ccp4bb] preparation of citrate buffer pH3-6.5

2014-01-30 Thread David Schuller
RE citrate buffer preparation The Calbiochem buffers has some generally useful information about buffers; pKa and such. http://www.antibodybeyond.com/books/Calbiochem_Buffers_Booklet_CB0052_E.pdf http://wolfson.huji.ac.il/purification/PDF/Buffers/Calbiochem_Buffers_Booklet.pdf --

Re: [ccp4bb] account creation for CCP4wiki (and XDSwiki)

2014-03-12 Thread David Schuller
On 03/12/14 11:52, Kay Diederichs wrote: ... Account creation now uses a Captcha which is not of the boring type, but rather challenges your expertise in telling cats from dogs. I have heard that this algorithm can be fooled by cosmetic surgery.

Re: [ccp4bb] small molecule crystallography

2014-03-24 Thread David Schuller
Coincidentally, I just spent my day trying to index a lattice of ~ 10 x 10 x 11 A. Mounting samples: if the compound is stable, just glue it to the end of a steel pin. No muss, no fuss. We had to attenuate our synchrotron beam heavily to make it work; motors can only turn so fast. We did

[ccp4bb] FORTRAN still rules?

2014-05-08 Thread David Schuller
http://arstechnica.com/science/2014/05/scientific-computings-future-can-any-coding-language-top-a-1950s-behemoth/ Scientific computing's future: Can any coding language top a 1950s behemoth? Cutting-edge research still universally involves Fortran; a trio of challengers wants in. ---

Re: [ccp4bb] L-Dopa Stabilization?

2014-07-03 Thread David Schuller
On 07/03/14 17:05, Edward A. Berry wrote: I see, L-dopa is a phenolic (o-quinolic actually) compound, same as what gets oxidized in sliced apples to turn them brown. At least, that's the way it used to be. http://www.okspecialtyfruits.com/arctic-apples/about-our-nonbrowning-apples Truly

Re: [ccp4bb] Who is using 64-bit Linux?

2012-04-03 Thread David Schuller
We have been using 64 bit Linux for several years. I'm not aware of any lingering issues with the 64 bit-ness. Linux is always sprinkling in a few new bugs, but I don't know of any current issues with 32 bit vs. 64 bit. On 04/03/12 15:57, Roger Rowlett wrote: The time has come for me to

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-09 Thread David Schuller
On 04/09/12 12:32, Boaz Shaanan wrote: How about such a footnote to Table 1: The resolution of data is 3A in the a direction, 3.5A in b direction and 5A in the c direction Wouldn't this do the trick? Usually there's a requirement for a table of statistics, including completeness and R in

Re: [ccp4bb] Anisotropic diffraction

2012-04-27 Thread David Schuller
Anisotropic truncation should have no effect on the space group symmetry. On 04/27/12 15:18, Theresa Hsu wrote: Dear crystallographers A very basic question, for anisotropic diffraction, does data truncation with ellipsoidal method change the symmetry? For example, if untruncated data is

Re: [ccp4bb] Suggestions for solving a structure with 8-10 copies per asymmetric unit

2012-04-30 Thread David Schuller
On 04/30/12 11:41, Ke, Jiyuan wrote: Dear All, I have a question regarding solving a crystal structure by molecular replacement. It is a single protein with a molecular weight of 25.5 kDa. The cell dimension is rather big from the diffraction data ( 90.9 Å, 143.9 Å, 216.3Å, 90°, 90°, 90°).

Re: [ccp4bb] saxs on xtals

2012-05-07 Thread David Schuller
That sounds like powder diffraction. On 05/07/12 12:30, anna anna wrote: Dear all, I'd like some suggestions/opinions about the sense of an experiment proposed by a collaborator expert in saxs. In few words, he wants to collect SAXS data on a suspension of protein xtals to investigate low

Re: [ccp4bb] zinc with HEPES

2012-05-11 Thread David Schuller
On 05/11/12 12:26, Rajesh Kumar wrote: Dear All, This question sounds simple but I dont know the answer. I was preparing a 24 well crystal screen. When I try to use 10 mM ZnSO4 with HEPES (pH 7.6) buffer it precipitates. I tried both ZnCl2 and Zn acetate the effect is same. I dont know why

Re: [ccp4bb] Recompile fsearch with increased memory

2012-06-13 Thread David Schuller
Another option might be to reduce the resolution of the search. With SAXS you don't have much resolution in your search model anyway. On 06/13/12 16:33, Jason Busby wrote: Hi, I am trying to run fsearch to do molecular replacement from a SAXS envelope, but it gives an error: FSEARCH: *out

Re: [ccp4bb] do you think it is interesting?

2012-06-18 Thread David Schuller
Certainly it's interesting, but I think your description is inaccurate. Endless linear polymers - Each monomer is a polymer, but a collection of monomers is called a multimer, not a polymer. I don't suppose there are any knots? That would be really interesting. On 06/18/12 09:49, anna anna

Re: [ccp4bb] do you think it is interesting?

2012-06-18 Thread David Schuller
On 06/18/12 10:43, Tim Gruene wrote: -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 [...] of monomers is called a multimer, not a polymer. [...] shiver - what a terrible mixture of languages. 'multi-' has got latin origin, whereas both poly and mer have got greek origin, and I don't think one

Re: [ccp4bb] do you think it is interesting?

2012-06-18 Thread David Schuller
On 06/18/12 11:17, Jacob Keller wrote: But anyway, what is wrong with calling her structures polymers? Is there a subtle covalent insinuation to polymer? subtle? No, it's not subtle. -- === All Things Serve the Beam

Re: [ccp4bb] do you think it is interesting?

2012-06-18 Thread David Schuller
If the original poster could engineer a few disulfides or other covalent linkages in there, I would drop my objections, and be even more impressed. On 06/18/12 11:48, Jacob Keller wrote: Okay, I wiki'd it, and according to them seems you're right: it says they are typically connected by

Re: [ccp4bb] do you think it is interesting?

2012-06-20 Thread David Schuller
On 06/20/12 00:36, Edward A. Berry wrote: Sorry to come late to this discussion- I think the actin and tubulin people already reverted polymer to its etymological use- google actin polymerization True. Objections withdrawn. --

Re: [ccp4bb] information received through the AFC: iycr2014

2012-07-04 Thread David Schuller
On 07/04/12 08:03, Vellieux Frederic wrote: The press release in English: http://www.un.org/News/Press/docs/2012/ga11262.doc.htm Boaz: perhaps the crystallography congresses and events taking place in 2014 will be attended by UN peacekeeping force members as well (with their blue helmets) ?

Re: [ccp4bb] MR solution

2012-07-09 Thread David Schuller
Scaling should be the same in P222 vs. P212121. The only difference is the exclusion of systematic absences. You may have run into some quirk of Phaser in the way it handles multiple space groups vs. a single one. On 07/09/12 14:06, Shya Biswas wrote: Hi all, I have a dataset that I scaled

Re: [ccp4bb] harvesting in cold room

2012-07-13 Thread David Schuller
On 07/13/12 17:29, Jacob Keller wrote: You probably already know this, but nitrogen is not at all poisonous--about 78% of the air is nitrogen. I guess you were probably worried about asphyxiation? We have oxygen sensors in our X-ray hutches for precisely that reason. --

Re: [ccp4bb] asking for a reference for cacodylate decomposition in protein crystals upon X-ray exposure

2012-08-02 Thread David Schuller
I do not have the reference you are seeking, but I have seen cacodylate-containing xtals diffract to better than 1.2 and hold up very well. Also, arsenic has an anomalous signal which may be exploited for phasing, peak ~ 1.04 A. On 07/29/12 18:53, Tatyana Sysoeva wrote: Hi! I heard a

Re: [ccp4bb] CCP4-6.3.0 installation

2012-08-04 Thread David Schuller
On 08/04/2012 04:38 PM, james09 pruza wrote: Dear CCP4bbers, I am facing CCP4-6.3.0 installation problem. Unable to run make. Configuration is done. Getting error while running make (command not found). Please help. Thanks in advance, James Which operating system are you using? On

Re: [ccp4bb] Help Please!

2012-09-18 Thread David Schuller
Those commands which do not work apparently require the version of libc that you replaced. If your description is accurate, you did not actually delete the file, but merely renamed it. You can boot up from your Linux (this is Linux, right?) installation disk in RESCUE mode and put the file

Re: [ccp4bb] Stout and Jensen

2012-10-22 Thread David Schuller
I note that it is on sale at Amazon.com for only $177.07 right now. On 10/22/12 14:36, Jayashankar wrote: Dear All, I would like to buy the book '' X-ray structure determination'' by George.H.Stout and Lyle.H.Jensen. If in any case , somebody has shelved it and want to give away for

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] Assemble Protein-DNA complex

2012-11-09 Thread David Schuller
On 11/09/12 15:43, Tommi Kajander wrote: It is not very surprising that the affinity gets higher with lower salt, right? Not at all. I wanted to ask if their assay could distinguish between specific binding and nonspecific binding, but I decided not to sidetrack the discussion. --

[ccp4bb] Sutherland wind Kyoto pPrize

2012-11-11 Thread David Schuller
http://www.i-programmer.info/news/82-heritage/5061-ivan-sutherland-presented-with-kyoto-prize.html Dr Ivan Sutherland, often dubbed Father of Computer Graphics was one of three laureates honored at the 28th Annual Kyoto Prize Ceremony held today in Japan, The Kyoto Prize

Re: [ccp4bb] vitrification vs freezing

2012-11-16 Thread David Schuller
On 11/16/12 17:33, Adrian Goldman wrote: Bernard Dixon is merely copying the great essay by George Orwell 'politics and the english language'. Its well worth a read. In it, Orwell lays out about six simple rules for writing good english prose. Three of them are: never use the passive voice.

Re: [ccp4bb] hkl2000 install

2012-11-19 Thread David Schuller
On 11/18/12 20:48, 王瑞 wrote: OK,thank you all of you. I have installed one copy of HKL2000 on our desktop computer. But for my notebook's low 1366*768 resolution, the HKL2000 can't work ! So what could I do to resolve it ?

Re: [ccp4bb] Today ...

2012-12-20 Thread David Schuller
On 12/20/12 11:23, Edward A. Berry wrote: No, No- in scientific circles we go from MSB on the left to LSB on the right: 2012 12 20 (still a sort of palindrome). This is the best method if you are going to incorporate the date into a file name. That way alphanumeric and chronological

Re: [ccp4bb] Today ...

2012-12-21 Thread David Schuller
On neither case does an alphanumeric sort coincide with a chronological sort. The obvious solution is to petition to have the months renamed alphabetically. On 12/21/12 03:23, Tom Murray-Rust wrote: Hi Juergen, Your scheme as printed has two J's - so January and July are indistinguishable!

Re: [ccp4bb] protein degradation in crystal

2013-01-16 Thread David Schuller
Were the crystals which run different on gels from the same drop, or separate drops? Yes, it is possible that the protein is being cleaved in the crystal (self-cleavage?); but it may also be that it is being cleaved in the mother liquor, and that crystallization is enriching one form or

Re: [ccp4bb] protein degradation in crystal

2013-01-16 Thread David Schuller
Were the crystals which run different on gels from the same drop, or separate drops? Yes, it is possible that the protein is being cleaved in the crystal (self-cleavage?); but it may also be that it is being cleaved in the mother liquor, and that crystallization is enriching one form or

Re: [ccp4bb] Crystallization buffer pH optimization

2013-01-17 Thread David Schuller
That may be the CALBIOCHEM Buffers Booklet, which is free online as a PDF. On 01/17/2013 12:38 AM, Mike John wrote: Hello, Shameful and sorry for asking this simple question, it looks like this when first starting a new setup in so-called structural biology. I remmeber a book of, probably,

Re: [ccp4bb] [COOT] favorite linux flavor, or as most of you would say, flavour ;)

2013-01-17 Thread David Schuller
A year or two ago we switched from Fedora to Scientific Linux 6. It is a free repackaging of Red Hat Enterprise, so it should be a straightforward shift from Fedora. It is supported long term, and has backing from several large labs (fermilab, CERN, etc) CCP4, Coot, etc. seem to be

[ccp4bb] Golden Jubilee of Ramachandran Plot

2013-01-18 Thread David Schuller
http://eventheodd.blogspot.in/2013/01/golden-jubilee-of-ramachandran-plot.html Golden Jubilee of Ramachandran Plot http://eventheodd.blogspot.in/2013/01/golden-jubilee-of-ramachandran-plot.html Exactly fifty years from now i.e. in the year 1963, G. N. Ramachandran et. al published

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] off topic - legacy hardware help needed

2013-01-24 Thread David Schuller
On 01/24/2013 03:19 AM, James Stroud wrote: It seems like the problem is that the Indigo has an IP address that is not part of the subnet that it is on, so this makes network access impossible. Is this correct? If so, you can just spoof the proper subnet in isolation. You can run dd-wrt on a

Re: [ccp4bb] electron density assignment

2013-02-04 Thread David Schuller
Generate an anomalous map and look for peaks. Many metals would generate anomalous. On 02/04/13 07:39, Gang Dong wrote: Dear all, Here are some hexmeric densities we observed in our 1.6-A resolution 2Fo-Fc map. They are located in between two dimers. Although 7 waters would fit nicely in

Re: [ccp4bb] Sighting of Protein Crystals in Vivo?!

2013-02-17 Thread David Schuller
On 02/16/13 00:46, Zhijie Li wrote: Hi Jacob, Interesting topic. This reminds me the posters I saw on ACA 2010, on the femto-second infrared laser based instrument . That instrument utilizes the nonlinear optical properties of crystals of chiral molecules to detect very small crystalline

Re: [ccp4bb] stereo monitor for DELL T7600

2013-03-01 Thread David Schuller
On 03/01/2013 06:52 AM, mesters wrote: Just make sure the graphics card has not only miniDisplay connectors... The 3D monitors mostly have HDMI and DVI-D. Do not confuse the DVI-D with single/simple DVI as the bandwidth will be too low for stereo. 1) Monitors with 120 Hz stereo support

Re: [ccp4bb] Philosophical question

2013-03-19 Thread David Schuller
On 03/19/13 10:34, Jacob Keller wrote: Never one to shrink from philosophizing, I wonder generally why the codon conventions are the way they are? Is it like the QWERTY keyboard--basically an historical accident- QWERTY didn't just happen. It was designed. Don't kids today know how to use

Re: [ccp4bb] Philosophical question

2013-03-19 Thread David Schuller
On 03/19/13 14:41, Jacob Keller wrote: I don't understand this argument, as it would apply equally to all features of the theoretical LUCA (protein and DNA sequences, etc). To make it logically sound, I think you have either to include some kind of super-high boundary to getting to other

Re: [ccp4bb] Scaling with SCALA high and low resolution data sets

2013-03-20 Thread David Schuller
On 03/20/13 13:25, Kyriacos Petratos wrote: Dear All, we have two data sets at about 0.9 and 1.9 Ang. resolution collected from a single crystal. Integration with iMosflm seems to be fine like the scaling within each of the data sets. When we try to merge and scale both of them with 'Scala'

Re: [ccp4bb] CCP4 Update victim of own success

2013-04-11 Thread David Schuller
On 04/11/13 13:36, Ethan Merritt wrote: On Thursday, April 11, 2013 10:22:59 am Antony Oliver wrote: Eugene - that's great. I too run a small suite of Macs (12) and was trying to find a practical way of updating all those machines remotely. The command line version of CCP4um will be very

Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-29 Thread David Schuller
On 04/29/13 12:26, Roger Rowlett wrote: FYI, I do know of one example of a solved structure where some of the molecules in the ASU are poorly defined. In 1EKJ, 4 of the 8 molecules in the ASU have low B-factors (mid 30s) and 4 have high B-factors (50s-60s). In the unit cell these layers

[ccp4bb] Crystals in the news

2013-04-29 Thread David Schuller
http://news.discovery.com/earth/rocks-fossils/sea-squirt-crystal-solved-130429.htm Crystal Puzzle Solved with Sea Squirt RE vaterite Science 26 April 2013: 454-457.[DOI:10.1126/science.1232139]

Re: [ccp4bb] detectors on home sources

2013-04-30 Thread David Schuller
The Excillum MetalJet (TM) source is technically very interesting, with its liquid metal jet anode, but I have no idea how well it works for typical in-house crystallography use. On 04/30/13 15:00, Fareed Aboul-Ela wrote: I'm involved in advising my institute on an X-ray home source for a

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-24 Thread David Schuller
Yes, you can try a sequence search of the PDB. But if your sequence matches only part of an existing entry, be aware there is a bug in the PDB sequence search so that it reports the wrong residue numbers for the existing entry. This bug has been reported to RCSB, but they apparently have not

Re: [ccp4bb] Recommendations for (linux) crystallography workstation, server?

2010-06-03 Thread David Schuller
On 06/03/10 17:08, Edward A. Berry wrote: A colleague is interested in purchasing computers for structural biology. On the CCP4 wiki Kay reports good results with core i7 940 processor in Dell desktops. Is i7 still a good choice? is it worth upgrading now to i7 960 (3.2 GHz vs 2.66, for + $467)

[ccp4bb] Computing hardware

2010-06-04 Thread David Schuller
Regarding computer hardware choices, Rather than argue over the necessity of ECC memory, I will simply point out that motherboards are available for socket LGA1156 which support ECC, so you can eat your cake and have a choice of frosting too. Both ASUS and Supermicro offer such boards. --

Re: [ccp4bb] MR on low resolution soaking data.

2010-06-07 Thread David Schuller
since the ligands bare being soaked into a known solved structure, why is MR necessary? Why not just start out with some rigid body refinement of the native structure to account for possible slight differences in the cell dimensions? --

[ccp4bb] 3D wish list

2010-06-10 Thread David Schuller
http://www.theinquirer.net/inquirer/news/1653487/panasonic-ship-152-inch-3d-tv Panasonic will ship its 152-inch 3D TV this year ... resolution of 4096x2160 ... $500,000 price tag ... They don't say which 3D tech is utilised, I wonder if it requires active goggles. --

Re: [ccp4bb] [COOT] Hardware stereo

2010-06-23 Thread David Schuller
1) Do you have a line: Option Stereo 10 in the Screen section of your xorg.conf? 2) Is the 3D Vision emitter hooked up both to a USB port _AND_ to the mini-DIN stereo socket on the Quadro card? AFAIK emitter sync with only USB connection is not supported under Linux.

Re: [ccp4bb] attachments

2010-07-02 Thread David Schuller
On 07/02/10 14:40, Flip Hoedemaeker wrote: Anyone still on PINE should consider a new email application :) Flip Alpine, for example. It even comes in a .rpm for easy installation with Fedora or Redhat. http://www.washington.edu/alpine/ It may not be as fancy as some of the other mail

Re: [ccp4bb] Zalman ZM-M215W and ZM-M240W with coot and pymol

2010-07-16 Thread David Schuller
In the realm of nVidia 3D vision technology, as opposed to Zalman: ASUS showed a 27 monitor at CeBIT, the PG276H, which is not yet available (Some articles say June 2010, some say Q4 2010). The pixel resolution, 1929x1080, will be the same as the current crop of 23 monitors (e.g. Acer

Re: [ccp4bb] Stereo Mac OS X - Update

2010-08-10 Thread David Schuller
I can give general info about current stereo LCD solutions, but I don't know which ones work and/or are supported on Mac OS. The Zalman monitor may be scarce because it is being replaced by something newer; the 1680x1050 resolution has been replaced by 1920x1080. The specs you list appear

Re: [ccp4bb] Refinement/Model-Building Density Modification

2010-08-18 Thread David Schuller
On 08/18/10 08:25, Michael Thompson wrote: Hello All, I am currently solving a structure at 2A resolution with phases obtained from molecular replacement. Using the MR solution, I began refinement with Refmac using NCS restraints. I am currently building the parts of the model that were

Re: [ccp4bb] Reverse Translatase

2010-09-07 Thread David Schuller
On 09/06/10 21:36, Jacob Keller wrote: Dear Crystallographers, does anyone know of any conceptual reason why a reverse translatase enzyme (protein--nucleic acid) could not exist? I can think of so many things for which such an enzyme would be helpful, both to cells and to scientists...! Unless

Re: [ccp4bb] Reverse Translatase

2010-09-08 Thread David Schuller
On 09/07/10 22:10, Jacob Keller wrote: In terms of usefulness, I was actually thinking about cells learning how to make new proteins from other cells, Which they do already by exchanging genes or perhaps an immune system could use the info to make the right choice of starting materials. The

Re: [ccp4bb] vector and scalars

2010-10-15 Thread David Schuller
On 10/14/10 11:22, Ed Pozharski wrote: Again, definitions are a matter of choice There is no correct definition of anything. Definitions are a matter of community choice, not personal choice; i.e. a matter of convention. If you come across a short squat animal with split hooves rooting

Re: [ccp4bb] Big difference between anomalous map and density modification map

2010-10-18 Thread David Schuller
On 10/17/10 15:29, Wu, Mousheng wrote: Dear All, I have a MAD dataset at 4Å and shelxD can find clear-cut 10 solutions (my protein has 12 methionines). I ran autosharp to refine them followed by density modification. After density modification, I ran solvent flattening. Then I calculated

[ccp4bb] Trouble running dm

2010-11-12 Thread David Schuller
CCP4 6.1.13 I am having trouble running dm. It complains with Invalid keyword for each of my AVER lines, even though my script is modeled as exactly as possible over the example in the documentation: http://www.ccp4.ac.uk/dist/html/dm.html -My script: #!/bin/csh -f # # single space

Re: [ccp4bb] Trouble running dm

2010-11-13 Thread David Schuller
-6.1.3/doc/dm.doc . If you intend to refine the NCS matrices, the instructions for that should be on the same line with AVER. If this were mine, I would try deleting the NCS 2 1 mystery keywords. hope that helps, Dan David Schuller wrote: CCP4 6.1.13 I am having trouble running dm

Re: [ccp4bb] Digital microscope camera

2010-11-17 Thread David Schuller
On 11/16/10 19:44, Julian Nomme wrote: Dear all, We are investigating the possibility to upgrade from an old 35mm film camera to a digitalcamera for taking crystal pictures through a microscope... We are using an internet webcam for that purpose, the IQinvision IQeye3 (probably no longer

Re: [ccp4bb] Tough 'shell' on disturbed drop

2010-11-25 Thread David Schuller
The shell may be denatured protein. Remove the protein from the experiment and the problem will likely go away. On 11/25/10 09:45, Rick wrote: Dear CCP4 I looped a v.thin rod emerging from a cluster of v.thin rods that grew in 29%PEG1500 and 0.1M SPG buffer at pH7.5 (succinic acid, sodium

Re: [ccp4bb] diffcult MR case

2010-11-29 Thread David Schuller
On 11/29/10 08:16, xiuwen zhang wrote: Dear colleages, Currently I met problem in a MR case and hope somebody could advise me. ... Moreover, as suggested by matthews_coff, there should be at least 2 molecules in one ASU Making what assumptions about acceptable values for

Re: [ccp4bb] If it is a new structure?

2010-12-20 Thread David Schuller
On 12/20/10 05:49, Liu Zhao wrote: The structure of my protein is as shown as the purple one. Another one ,as shown as green,is homologous .But the structure of my protein can't be obtained by using molecular replacement. And both structures have much different, especially in B chain. If my

Re: [ccp4bb] image file extensions

2011-02-09 Thread David Schuller
On 02/09/11 09:49, Andreas Förster wrote: Dear all, I'm trying to create some space on our server and want to compress all x-ray data files. I'm wondering what extensions I should search for. mccd and img come to mind easily. What other extensions are commonly used? Thanks. Andreas

Re: [ccp4bb] Strage image

2011-02-20 Thread David Schuller
On 02/20/11 08:46, Vandu Murugan wrote: Dear All, I mounted an aggregate with spikes on surface, that I saw in a well, and got a image attached with this. It has concentric rings.. What it could be? Any comments on it...? thanks, - Wandu Mentioning the temperature at which data was

Re: [ccp4bb] linux flavors

2011-02-22 Thread David Schuller
Installation of the proprietary nVidia driver is easier with Fedora 14; the hassles with removing the Nouveau driver have been greatly simplified. We use Fedora, although I certainly cannot claim that it has been problem free. It does seem better suited for centrally-managed systems, as

Re: [ccp4bb] Graphics card for Nvidia 3D vision

2011-03-01 Thread David Schuller
The Viewsonic and Samsung monitors are both 1680x1050 resolution. A new crop of monitors came out last year with 1920x1080 resolution. We have an Acer GD235HZ and a Planar SA2311W, each operating off a Quadro 3800 with the optional stereo connector. Other monitor models compatible with the

Re: [ccp4bb] [COOT] Red Hat Enterprise Linux 6 (RHEL 6) compability issue

2011-03-02 Thread David Schuller
An alternative to putting links in a directory would be defining an environmental variable giving applications a search list of directories to check. You could give it a catchy name like LD_LIBRARY_PATH or some such. -- ===

Re: [ccp4bb] molecular replacement solution

2011-03-15 Thread David Schuller
On 03/15/11 02:41, Careina Edgooms wrote: Dear CCP4 members I have a confusion with molecular replacement. I wish to solve a monomeric protein in P21 where there are 2 monomers in asymmetric unit. How do you know that? What would the %solvent be with one monomer, and with two? If, using

Re: [ccp4bb] xds question: inverse beam, lots of wedges

2011-04-01 Thread David Schuller
On 03/31/11 18:08, Patrick Loll wrote: We've just collected a number of inverse beam data sets. It turns out the crystals showed little radiation damage, so we have a lot of data: 2 x 360 deg for each crystal, broken up into 30 deg wedges. The collection order went like this: 0-30 deg,

Re: [ccp4bb] General question about Heme Binding Proteins

2011-04-19 Thread David Schuller
On 04/19/11 14:18, Stephane Richard wrote: Dear CCP4 community, I have a question a bit off CCP4 topic, but that could use so expert input. While discussing about a bacterial secreted hemophore (heme scavenging protein) for which the apo form has been solved, it seems that attempts to obtain the

[ccp4bb] ccp4mg installation/execution problem

2011-05-11 Thread David Schuller
Today I downloaded ccp4mg v2.5.0 for 64 bit Linux(most modern distributions) file: ccp4mg-2.5.0-Linux-Fedora-9-x86_64.tar.gz and installed it on Fedora 14 64 bit kernel: 2.6.35.12-90.fc14.x86_64 When i attempted to run it: A splash screen appeared briefly, then disappeared. A window appeared

Re: [ccp4bb] still having problems with Chlorine atoms in ligand during refinement

2011-05-11 Thread David Schuller
On 05/11/11 11:00, herman.schreu...@sanofi-aventis.com wrote: Dear Madhavi, How did you generate the cif file? Did you make sure that CL1 and CL2 are defined as atom.type_symbol CL and not C? If you used e.g. prodrg with your old file with old positions of the CL atoms, prodrg will have

Re: [ccp4bb] Low resolution refinement

2011-05-19 Thread David Schuller
This reminds me of: Pig heart short chain L-3-hydroxyacyl-CoA dehydrogenase revisited: Sequence analysis and crystal structure determination Barycki JJ, O'Brien LK, Birktoft JJ, Strauss AW, Banaszak LJ Protein Science (Oct 1999) Vol 8, pp 2010-2018. In which the protein in question also had

Re: [ccp4bb] [COOT] Hardware Recommendation

2011-05-23 Thread David Schuller
This pops up often enough there ought to be a FAQ. 1) The old glasses emitters from the CRT days are not compatible with the new glasses and emitters. Move right to question #2. 2) a) Pick a 1920x1080 monitor from nVidia's list of approved display devices: (~ $400)

Re: [ccp4bb] nVidia Quadro 4000 and the stereo bracket

2011-06-08 Thread David Schuller
On 06/08/11 08:53, Joe Watts wrote: I don't know about the Quadro 4000, but with the FX3800 I had a hell of a time tracking down a 3 pin stereo bracket. I eventually was directed to a vendor that sold a bracket by an engineer from NVIDIA. PNY Technologies PNQFX3800 Stereo Bracket for Quadro

Re: [ccp4bb] How to evaluate Fourier transform ripples

2011-07-06 Thread David Schuller
I note that all three of those atoms should have anomalous scattering and should show up as peaks in anomalous Fourier maps if you collected data carefully enough at multiple wavelengths. The As K edge is 1.04 A, which is easily within reach of most MAD synchrotron beamlines. The Mo peaks are out

Re: [ccp4bb] off-topic: LCD monitors

2011-07-19 Thread David Schuller
You don't mention many other details about your stereo setup, so I will asssume you have/plan to get a nVidia 3D Vision setup. If those are the only 3 choices, I would cross off the Samsung. It is a year older technology, with lower resolution and significant crosstalk. The ASUS and the

Re: [ccp4bb] Newbie Installation Question

2011-07-30 Thread David Schuller
On 07/30/11 04:05, Weiergräber, Oliver H. wrote: I also observed the tcltk path problem... I am not sure that it is the tcltk path he's talking about, it could be the execution path. I think a look at the ccp4.setup file is needed to figure out what went wrong.

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