Re: [ccp4bb] RNA for crystallization

2013-05-20 Thread William G. Scott
resolution you might need. Good luck. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories University of California at Santa Cruz Santa Cruz, California 95064 USA

Re: [ccp4bb] Harmful effect of X-ray

2013-07-12 Thread William G. Scott
On Jul 12, 2013, at 12:57 PM, Mark van der Woerd mjvdwo...@netscape.net wrote: I just re-wrote our safety plan because we have to renew our radiation license for our new in-house instrument. On this plan, they ask you to write a worst-case scenario. For an in-house sealed tube instrument,

Re: [ccp4bb] CCP4 package installation problem in Mac OS

2013-08-03 Thread William G Scott
Scroll up to see where it started failing. On Aug 3, 2013, at 11:22 AM, anil kumar anilkumar...@yahoo.co.in wrote: Dear members, I am attempting to install ccp4 package in my mac machine. The download of the files was directed in a temp folder and done via the package manager

Re: [ccp4bb] Only refine Bs in Refmac?

2013-09-05 Thread William G. Scott
On Sep 4, 2013, at 2:57 PM, Garib N Murshudov ga...@mrc-lmb.cam.ac.uk wrote: You may need to use the latest available version (5.8) from our LMB site Hi Garib: Would it be possible to add a link for the source code, so this could also be used with Coot? Thanks. Bill

Re: [ccp4bb] largest protein crystal ever grown?

2013-10-24 Thread William G. Scott
I remember seeing an approx (5mm)^3 haemoglobin crystal in the MRC LMB crystal growing room, and the nucleosome crystals there were almost as big in their longest dimension. Bill On Oct 24, 2013, at 8:33 AM, Tobias Beck tobiasb...@gmail.com wrote: Dear all, I was just wondering if anyone

Re: [ccp4bb] OSX 10.9.2

2014-03-28 Thread William G. Scott
On Mar 28, 2014, at 10:29 AM, Cygler, Miroslaw miroslaw.cyg...@usask.ca wrote: Hi, Does the ccp4 suite work with the latest OSX 10.9.2 operating system? Are there any known problems? Mirek As far as I can tell, it works fine. One problem I have heard (on the ccp4bb) with 10.9.X

Re: [ccp4bb] install coot in mac through fink

2014-04-02 Thread William G. Scott
corrupted. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA University of California at Santa Cruz Santa Cruz, California 95064 USA http://scottlab.ucsc.edu/scottlab/ On Apr 2, 2014, at 8:58 AM, Yamei Yu ymyux...@gmail.com

Re: [ccp4bb] crystallographic confusion

2014-04-18 Thread William G. Scott
in that case would probably be significant. The map image quality, after all, is what we are after, not beautiful Table 1 statistics. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA University of California at Santa Cruz

Re: [ccp4bb] negative density around disulfide bond

2014-06-02 Thread William G. Scott
On Jun 1, 2014, at 10:08 PM, Eze Chivi ezech...@outlook.com.ar wrote: Hello, when I refine my structure, I see negative density around the disulfide bond. I have 7 copies per ASU, and I can see this density in many of them. In some cases, I see positive density also (negative in the center

Re: [ccp4bb] Drawing reaction mechanism

2012-05-31 Thread William G. Scott
xdrawchem is free and will do this. On May 31, 2012, at 8:01 PM, Appu kumar wrote: Dear ccp4 user, Sorry for offset question, Anyone please tell me the name of programme which can be used to draw enzyme reaction mechanism ( like Sn1 and Sn2). Your kind help

Re: [ccp4bb] Coot installing problem

2012-06-14 Thread William G. Scott
If RedHat allows you to install a more current version of glibc, then do that. If not, switch to something like Ubuntu. William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories University of California

Re: [ccp4bb] [COOT] CCP4 6.3.0 released

2012-07-17 Thread William G. Scott
On Jul 17, 2012, at 6:25 AM, Felix Frolow wrote: I will wait for fink version if it will be one… :-\ Does anyone use or want this anymore? -- Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories

Re: [ccp4bb] Nucleophilic attack by the side-chain carboxyl group of Asp?

2012-07-22 Thread William G. Scott
, and Hg++ prefers sulphur to oxygen. William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories University of California at Santa Cruz Santa Cruz, California 95064 USA

Re: [ccp4bb] Question on stereo monitor: LG D2342P-PN

2012-07-24 Thread William G. Scott
it will work fine. If you can get it from Best Buy for under $300 and return it within 30 days for a full refund, it might be worth it. Either way, let us know. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer

Re: [ccp4bb] Problem with Coot on Mountain Lion

2012-08-08 Thread William G. Scott
I'm unable to reproduce the error. Can you try it in a temporary new account that doesn't have anything modified, and see if it works? William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories University

Re: [ccp4bb] Various OSes and Crystallography

2012-08-10 Thread William G. Scott
I completely agree with Harry's observation about the glare screen feature. I find it is quite literally an almost instant headache. There is an option with the macbook pro to pay a ransom to get a usable screen, so my wife did. On my macbook air, I found putting a dull dark grey background

Re: [ccp4bb] CCP4 Update

2012-09-11 Thread William G. Scott
On Sep 6, 2012, at 9:00 AM, eugene.krissi...@stfc.ac.uk wrote: If this does not work for you for any reason, please (re-)read update manual for details. If that does not help as well, please write to us. Dear Eugene: Will there be a way to get the corresponding changes to the source-code?

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread William G. Scott
I'd just use a decent shell scripting language (like zsh) in conjunction with a unix tool like awk. But the gnuplot option sounds ideal. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories

Re: [ccp4bb] CCP4 update 6.3.0 006

2012-10-09 Thread William G. Scott
Dear Ronan et al: I apologize if I have missed it, but is there a simple way to obtain the corresponding changes in the source code for those of us who compile ccp4 ourselves? I looked on the web site and the ftp site but can't seem to find it. Many thanks in advance. Bill On Oct 8, 2012,

Re: [ccp4bb] CCP4-6.3.0 installtion

2012-10-19 Thread William G. Scott
On Oct 18, 2012, at 3:39 PM, Kip Guja k...@pharm.stonybrook.edu wrote: If the output says: /bin/bash then do source /Applications/ccp4-6.3.0/bin/ccp4.setup-sh ccp4i If the output says: /bin/tcsh or /bin/csh then do source /Applications/ccp4-6.3.0/bin/ccp4.setup-csh ccp4i You need

Re: [ccp4bb] Glass Capillaries

2012-11-12 Thread William G. Scott
On Nov 12, 2012, at 8:13 AM, Michael Roberts mrobert...@talktalk.net wrote: Dear All, I would be interested to learn of other crystallographers' experience in their use of glass capillaries for protein crystal growth and X-ray diffraction clarity. There are many types of glass available

[ccp4bb] OT: Has anyone experienced problems with Apple laptop battery expansion?

2012-11-17 Thread William G. Scott
Hi folks:I'm trying to get a sense for how frequently this sort of thing occurs:That was a macbook air that served me well for four years, but then self-destructed. (I took it to the Apple store. They generously offered to repair it for $800 or to sell me a new one, and suggested this was normal

Re: [ccp4bb] hkl2000 install

2012-11-18 Thread William G. Scott
Make your life easier and use CCP4's imosflm (this is the CCP4 bb after all) On Nov 18, 2012, at 5:48 PM, 王瑞 wangrui...@gmail.com 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

[ccp4bb] Mg++ interactions

2012-11-27 Thread William G. Scott
Hi folks: Are Mg++ ions ever observed to chelate primary amines? Are there any examples in crystal structures? Thanks. -- Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories University

Re: [ccp4bb] Reading CCP4 maps into PyMol

2012-12-07 Thread William G. Scott
Give it the suffix .ccp4 On Dec 7, 2012, at 10:52 AM, Harman, Christine christine.har...@fda.hhs.gov wrote: Hi, Can anyone tell me how to open a CCP4 map in Pymol. Thanks, Christine

Re: [ccp4bb] off topic:how to prevent DNA tetraplexe forming?

2012-12-21 Thread William G. Scott
structure? any suggestion is appreciation. dengzq Unless it has some other, more stable structure to compete it out, you will have this problem persist. Even GTP in solution will do this. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center

Re: [ccp4bb] how to update phenix

2013-02-10 Thread William G. Scott
On Feb 10, 2013, at 8:23 AM, LISA science...@gmail.com wrote: Hi all, My mac has the old version of phenix. How can i update to the new verison? Should I delete the old version and download the new version to install as the fist time ? Thanks lisa You can delete it and download a new

Re: [ccp4bb] fink problem

2013-02-19 Thread William G. Scott
It sounds like you have updated the OS system since last updating fink. Easiest thing is to blow it away and start over. I made some tarballs to remove the pain: http://scottlab.ucsc.edu/~wgscott/xtal/wiki/index.php/Installing_Fink_on_10.6_and_10.7#Installing_Fink_on_10.8 Or you can just

Re: [ccp4bb] Mac OS 10.8 Mountain Lion and CCP4?

2013-02-22 Thread William G. Scott
, annoyances and 'features' that have been corrected in 10.8, so I either run 10.8.X or 10.6.8 on my computers in the lab.) Good luck. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories University

Re: [ccp4bb] RNA 3D structure alignment

2013-03-14 Thread William G. Scott
I find that least-squares fitting of RNA in coot is fairly painless, robust and straightforward. It will move all of the contents of one pdb file, not just the RNA residues you select to align. On Mar 14, 2013, at 1:53 PM, Chen Zhao chenzhaoh...@gmail.com wrote: Dear all, I am now

Re: [ccp4bb] delete subject

2013-03-27 Thread William G. Scott
to them not to have to rely only upon my limited abilities and increasingly obsolete knowledge. We should all be able to learn from one anther without fear of reproach. All the best, Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular

Re: [ccp4bb] delete subject

2013-03-28 Thread William G. Scott
That last paragraph is great: Adam is the author of the book Surviving Your Stupid, Stupid Decision to Go to Grad School (Broadway Books, 2010) -- Bill On Mar 28, 2013, at 9:09 AM, Ian Tickle ianj...@gmail.com wrote: By coincidence this just landed in my Inbox:

[ccp4bb] Mg++ binding to N7 of G

2008-04-02 Thread William G. Scott
Howdie folks: I've got what appears to be an inner-sphere interaction between Mg++ and the N7 of a G. The mode of binding is the same as what is observed at this site for Mn++, confirmed with anomalous data. Our resolution is 1.6 Å, so I am reasonably confident this is right. However, my

Re: [ccp4bb] birefringent spacegroups

2008-06-11 Thread William G. Scott
: 847.491.2438 cel: 773.608.9185 email: [EMAIL PROTECTED] *** -- - William G. Scott contact info: http://chemistry.ucsc.edu/~wgscott Please reply to: [EMAIL PROTECTED]

Re: [ccp4bb] alternatives to IZIT

2008-06-14 Thread William G. Scott
I am pretty sure it is just methylene blue. You can also see what kind of diffraction pattern the crystal has, or just squish it and see if it crumbles. On Jun 14, 2008, at 1:51 PM, Mark Del Campo wrote: Before I place an order for some Izit, are there some other dyes I can use to check

[ccp4bb] Off-topic: Headhunters

2008-06-24 Thread William G. Scott
or other academic positions? I've got to do something to better my situation (and my wife's, who does HIV research) or I'm going to be pushing around a shopping cart with all three of my belongings on my way home from divorce court. Many thanks in advance. Bill William G. Scott Contact

Re: [ccp4bb] [ccp4bb summary] Is there an easy way to down-weight figures of merit?

2008-07-12 Thread William G. Scott
Thanks to everyone who replied. Doing this with HL coefficients just prior to solvent-flattening was the least painful. I arbitrarily divided by two (see below). Most importantly, the maps improved significantly, showing clear nucleotide density for missing (unmodeled) RNA fragments where

Re: [ccp4bb] Using the BB for file sharing

2008-07-15 Thread William G. Scott
It is impossible to know when someone has an anonymous user name and email address. I would suggest, minimally, that if someone asks us to send a paper, they need to sign their correspondence unambiguously (name and institution). Also, several requests in the span of three weeks from the

Re: [ccp4bb] RP-LC validation paper

2008-07-15 Thread William G. Scott
Also, I wonder if word has gotten out that we've become a literature search service rather than a crystallography bulletin board. A lot of these papers seemingly have little to do with what we do... On Jul 15, 2008, at 1:24 AM, Meg wrote: for our research project we are on the lookout of

Re: [ccp4bb] Na Acetate Buffer

2008-07-21 Thread William G. Scott
This is a job for the trusty Henderson-Hasselbach equation: http://en.wikipedia.org/wiki/Henderson-Hasselbalch_equation On Jul 21, 2008, at 8:12 PM, Meg wrote: Dear All, I want to prepare 25 mM sodium acetate buffer pH 4.5. can anyone give the exact composition of how to prepare it. we

Re: [ccp4bb] Na Acetate Buffer

2008-07-22 Thread William G. Scott
On Mon, Jul 21, 2008 at 11:20 PM, William G. Scott [EMAIL PROTECTED] wrote: This is a job for the trusty Henderson-Hasselbalch equation: http://en.wikipedia.org/wiki/Henderson-Hasselbalch_equation On Jul 21, 2008, at 8:12 PM, Meg wrote: Dear All, I want to prepare 25 mM sodium acetate

Re: [ccp4bb] quote source

2008-07-24 Thread William G. Scott

Re: [ccp4bb] os x wiki

2008-07-24 Thread William G. Scott
Thanks to the incredibly helpful generosity of Hari Jayaram at Brandeis, we have it now at http://sage.ucsc.edu/xtal/wiki This will soon be aliased to the url http://xanana.ucsc.edu/xtal/wiki On Jul 23, 2008, at 12:27 PM, Patrick Loll wrote: Does anyone know if the Crystallography on OS

Re: [ccp4bb] CCP4MG can't start

2008-07-25 Thread William G. Scott
of the script or put in a conditional test for the operating system version. The latest X11 for 10.5.4 is worth getting too, as it has a lot of improvements: http://xquartz.macosforge.org/trac/wiki/X112.3.0 Bill William G. Scott Contact info: http://chemistry.ucsc.edu/~wgscott/ On Jul 25

Re: [ccp4bb] PHENIX question

2008-07-26 Thread William G. Scott
Alex: try moving /sw out of the way or not sourcing the /sw/bin/init.(c)sh script when you start a new shell and see if that makes a difference. My guess is phenix is using the wrong python (i.e., one in /sw). Fink won't touch anything outside of /sw (apart from your shell's

Re: [ccp4bb] 6.0.99

2008-07-27 Thread William G. Scott
(if you are using = bash 3.0). Bill William G. Scott Contact info: http://chemistry.ucsc.edu/~wgscott/ On Jul 27, 2008, at 12:07 PM, David J. Schuller wrote: Downloaded CCP4 6.0.99 core and phaser. Did gunzip and tar to extract. Next, the instructions say for the first 3 tarballs unpack

Re: [ccp4bb] question about getting rid of model bias in refinement

2008-07-27 Thread William G. Scott
. Is it possible the result you are getting is correct after all? William G. Scott Contact info: http://chemistry.ucsc.edu/~wgscott/ On Jul 27, 2008, at 6:19 PM, Sun Tang wrote: Hello Charlie, Thank you very much for your comments. I mostly agree with you. However, as far as I know most

Re: [ccp4bb] sequential renumbering of a messed up pdb file

2008-08-01 Thread William G. Scott
'BEGIN{$i=0}if (/^ATOM/) \ {if (substr($_,12,4) =~ / P /){$i++}; \ substr($_,22,4,sprintf(%4.0f,$i))}{print}' file.pdb On Thu, 31 Jul 2008, William G. Scott wrote: turned them all to zeros William G. Scott Contact info: http://chemistry.ucsc.edu/~wgscott/ On Jul 31, 2008, at 5:03 PM

Re: [ccp4bb] Change reflection file names

2008-08-07 Thread William G. Scott
].img zsh has a lot of nice features, like customized command completions and even remote filename completions with scp. zsh combines the user-friendliness of tcsh with the programmability and non-goofiness of bash. HTH, Bill William G. Scott Contact info: http://chemistry.ucsc.edu

Re: [ccp4bb] Ammonium citrate tribasic buffer

2008-08-07 Thread William G. Scott
.) William G. Scott Contact info: http://chemistry.ucsc.edu/~wgscott/ On Aug 7, 2008, at 12:42 PM, E rajakumar wrote: Dear All Sorry for non crystallographic query. Can any body mail me how to prepare Ammonium citrate tribasic (citric acid triammonium salt) buffer pH 6.7 to 7.25 and also

Re: [ccp4bb] April fools hand issue solved

2008-08-08 Thread William G. Scott
Could be a case of modeler bias. Just look at the name of the institute. This is like having a Jessie Helms endowed chair in the therapeutic benefits of tobacco. On Aug 8, 2008, at 8:31 AM, Jacob Keller wrote: Dear crystallographers, although many laughed off one CCP4BB poster's comments

Re: [ccp4bb] Ammonium citrate tribasic buffer

2008-08-09 Thread William G. Scott
Well, as long as I was right. That is the important thing. ;) William G. Scott Contact info: http://chemistry.ucsc.edu/~wgscott/ On Aug 9, 2008, at 11:11 AM, Ian Tickle wrote: I think the problem is that Britannica, or even Wikipedia, is and has never been the final arbiter of truth

Re: [ccp4bb] scalepack2mtz failed

2008-08-15 Thread William G. Scott
Failed: can't batch-install packages: /sw/fink/dists/unstable/main/ binary-darwin-i386/sci/ccp4_6.0.99e-3_darwin-i386.deb /sw/fink/dists/ unstable/main/binary-darwin-i386/sci/ccp4-shlibs_6.0.99e-3_darwin- i386.deb Then, I was trying to open the task window from my previous projects in

Re: [ccp4bb] CCP4i on MacPro under Leopard

2008-08-25 Thread William G. Scott
Under 10.5.X, sudo doesn't inherit the environment. So the best thing to do is start a root process like this: /bin/bash (or /bin/zsh or /bin/tcsh ) source /usr/local/ccp4-6.0.2/include/ccp4.setup-bash (or whatever it is for your shell) Then issue ccp4i William G. Scott Contact info

Re: [ccp4bb] fink problem

2008-09-04 Thread William G. Scott
On Sep 4, 2008, at 9:23 AM, Jayashankar wrote: Dear Computational crystallographers and developers, I still struggle with my mac book pro, to install crystallographic softwares, This is why I bought the mac book amateur. The fink list has cctbx, I want to know whether this cums in

Re: [ccp4bb] truncate and anisotropy

2008-09-09 Thread William G. Scott
On Sep 9, 2008, at 8:12 AM, Phoebe Rice wrote: Thanks for all the interesting answers so far! The anisotropy issue is one that got me worrying about truncate for data from DNA-containing crystals in particular - and the fact that since its a default in ccp4i, new people have stopped worrying

Re: [ccp4bb] crystal size

2008-09-10 Thread William G. Scott
Anything that slows growth potentially could help. In one case, I found by re-dissolving drops with showers of small crystals I could get one or two huge ones. I just added 2 microliters of water to the handing drop and allowed it to re-equilibrate. Changing temperature or any physical

Re: [ccp4bb] crystal size

2008-09-10 Thread William G. Scott
Oh, another thing you can try is simply increasing the drop volume, especially large sitting drops. This will slow down equilibration, and there will be proportionately more material On Sep 9, 2008, at 11:23 PM, Vincenzo Carbone wrote: Dear all, I was wondering if anyone had some

Re: [ccp4bb] Progresss with Stereo 3D under Mac OS X Leopard

2008-09-17 Thread William G. Scott
On Sep 16, 2008, at 5:26 PM, Warren DeLano wrote: Also, do crystallographers still consider stereo 3D to be a high-priority or must-have feature in a graphics workstation? Hi Warren: I'd put lack of stereo 3D in the same categories as lack of grant support or involuntary celibacy. I'm

[ccp4bb] OS X 10.5.5 update and X11

2008-09-17 Thread William G. Scott
Hi folks: My apologies to those who will find this irrelevant, but hopefully they didn't read beyond the subject line. I've gotten many questions about this, so ... After the update to 10.5.5, you have to update (again) X11, preferably to 2.3.1. Why Apple didn't include this in the

Re: [ccp4bb] Progresss with Stereo 3D under Mac OS X Leopard

2008-09-17 Thread William G. Scott
Hi Nat: On Sep 17, 2008, at 11:14 AM, Nathaniel Echols wrote: those of us who came of age (technologically speaking) in an era of ubiquitous bright, high-contrast (and increasingly massive) LCD screens can't bear to look at a CRT display any more. The day I stopped using CRTs in the

Re: [ccp4bb] Progresss with Stereo 3D under Mac OS X Leopard

2008-09-17 Thread William G. Scott
On Sep 17, 2008, at 8:21 PM, Engin Ozkan wrote: As a grad student we had access to stereo, I did not use it much. I have to say I do not know why new students would be swayed just by them. As a young grad student, I was amazed by chemistry in action (and I still am), and did not need

[ccp4bb] libxml2

2008-09-18 Thread William G. Scott
Top of the morning (here at least): CCP4 6.0.99 builds its own libxml2. It there a way to get it to use a later version I have already installed? The reason is that this is messing up other programs that for some reason I can't fathom (the evil $DYLD_LIBRARY_PATH remains unset) are

Re: [ccp4bb] Facebook for Neerds

2008-09-18 Thread William G. Scott
Warren DeLano once suggested myreciprocalspace.com On Sep 18, 2008, at 9:15 AM, Juergen Bosch wrote: Hi all, this is another generation question :-) Some of you are familiar with the social networking webpage Facebook, now there's something similar for Academics http://www.academia.edu/

Re: [ccp4bb] Crystallogrphy today

2008-09-20 Thread William G. Scott
On Sep 20, 2008, at 2:18 PM, Jayashankar wrote: Dear friends and crystallographers, Are they mutually exclusive? During One of my lab meeting , I told twinning in crystals are ok, because ccp4's recent releases just need the keyword TWIN to solve them, I believe the closer you get

Re: [ccp4bb] Crystallogrphy today

2008-09-20 Thread William G. Scott
Now that it is past 12:00 in Brookhaven, I want to be the first to wish Bob Sweet a happy birthday! Bob's brilliance is matched by his helpfulness, kindness and compassion; he very much lives up to his name. So on behalf of probably hundreds of us, happy birthday. It's been awhile (too

[ccp4bb] general ccp4 building question

2008-09-21 Thread William G. Scott
Howdie folks: If I already have shared libraries available for clipper, mmdb, ssm, cctbx and so forth, is it possible to get ccp4's configure to find these and then to build using these rather than recompiling identical or in some cases slightly older versions? Thanks. Bill Scott

Re: [ccp4bb] general ccp4 building question

2008-09-21 Thread William G. Scott
that the API of your system libraries is consistent with the ccp4-provided ones. Tim -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A On Sun, 21 Sep 2008, William G. Scott wrote: Howdie folks: If I already have shared libraries available

Re: [ccp4bb] coot pangoxft libtool error (hijacked from Happy Birthday Bob, jumped the shark from Crystallography Today)

2008-09-21 Thread William G. Scott
to rerun the command fink selfupdate and then used fink update coot but it still give the same error. Any help would be greatly appreciated! Regards, Azmiri On Sun, Sep 21, 2008 at 12:01 AM, William G. Scott [EMAIL PROTECTED] wrote: Now that it is past 12:00 in Brookhaven, I want to be the first

Re: [ccp4bb] coot pangoxft libtool error (hijacked from Happy Birthday Bob, jumped the shark from Crystallography Today)

2008-09-21 Thread William G. Scott
If this remains problematic, there are other options to avoid compiling: http://tinyurl.com/coot-on-osx On Sep 21, 2008, at 6:06 PM, William G. Scott wrote: Hi Azmiri: I'm assuming you have pango1-xft2-ft219-dev installed, since the build-depends should have this listed. Try fink

Re: [ccp4bb] home-made-x-rays-and-other-fun-with-tape

2008-10-23 Thread William G. Scott
Even better, with 2 ns pulses, we should be able to do time-resolved crystallography after looting the office supply cabinet. Unfortunately, our division cut their scotch tape budget. On Oct 23, 2008, at 6:38 AM, R.M. Garavito wrote: To all, For those of us who are do-it-yourselfers and

Re: [ccp4bb] buster-tnt on OSX ?

2008-10-26 Thread William G. Scott
Dear Gerard et al: I'm actually one of those whom has struggled unsuccessfully to install Sharp. I can't even remember why, and I am certain it was entirely my fault, but this did get me wondering... mlphare and MIR/MAD phasing seems to me the weak point in the ccp4 distribution. (I've

Re: [ccp4bb] Radius of Gyration

2008-10-29 Thread William G. Scott
Hi David: I think molrep in CCP4 will calculate this, if there is nothing else. Bill On Oct 29, 2008, at 8:39 PM, David M Shechner wrote: Hallo, one and all, I was wondering if anyone knew of a quick method (say, a publicly- available script, or subroutine in a CCP4 program) by which one

Re: [ccp4bb] Cryoprotectant for protein-DNA complex crystal

2008-10-31 Thread William G. Scott
Try soaking for about 5 seconds. You should only need to coat the surface of the crystal to cryoprotect it. Bill On Oct 31, 2008, at 2:22 PM, E rajakumar wrote: When I soak the crystals more than a minute

Re: [ccp4bb] Crystallographic computing platform recommendations?

2008-11-18 Thread William G. Scott
On Nov 18, 2008, at 7:01 AM, Mischa Machius wrote: For linux, I would recommend a commercial solution, For linux, I actually ditched the commercial solution for Ubuntu, because it was vastly easier as a non-expert to maintain. Having said that, like you, I have found running Mac OS X to

Re: [ccp4bb] Crystallographic computing platform recommendations?

2008-11-18 Thread William G. Scott
) 480-1430 Fax (204) 474-7603 Web: http://www.umanitoba.ca/science/microbiology/staff/mark/ On 18-Nov-08, at 9:42 AM, Anastassis Perrakis wrote: On Nov 18, 2008, at 16:26, William G. Scott wrote: On Nov 18, 2008, at 7:01 AM, Mischa Machius wrote: For linux, I would recommend a commercial

Re: [ccp4bb] COOT Problem

2008-12-13 Thread William G. Scott
On Dec 13, 2008, at 7:38 AM, Jayashankar wrote: since we are end users, As am I. we have to depend on big heads like you. Is this an oblique Santa Cruz reference? and i believe that things will be bug free and efficient soon. Some people believe Obama will soon repeal the Patriot

Re: [ccp4bb] iMosflm in 6.1 under OS X

2008-12-17 Thread William G. Scott
I've just now added these as fink packages (cvs unstable). Sorry for the delay. I dropped the ball. Steffen Schmidt did the hard work, so many thanks to Seffen!!! Bill On Dec 17, 2008, at 7:56 AM, Andrzej Lyskowski wrote: Hi, I've just upgraded my fink distro and was wondering what

Re: [ccp4bb] iMosflm in 6.1 under OS X

2008-12-17 Thread William G. Scott
More specifically, issue fink selfupdate-cvs (or fink selfupdate-rsync) fink install itcl itk iwidgets tdom tkimg tktreectrl On Dec 17, 2008, at 7:56 AM, Andrzej Lyskowski wrote: Hi, I've just upgraded my fink distro and was wondering what else has to be done concerning configuration

Re: [ccp4bb] iMosflm in 6.1 under OS X

2008-12-17 Thread William G. Scott
: /usr/X11/lib/libXdamage.1.dylib Referenced from: /sw/bin/coot Reason: Incompatible library version: coot requires version 3.0.0 or later, but libXdamage.1.dylib provides version 2.0.0 [1]Trace/BPT trapcoot Engin William G. Scott wrote: More specifically, issue fink

Re: [ccp4bb] install ccp4 in OS X

2008-12-19 Thread William G. Scott
On Dec 19, 2008, at 7:43 AM, Eric Liu wrote: Hi All Hi Eric: I am a new user for OS X system and this question may sound naive. I followed the instruction on website Crystallography on OS X, installed X11, Xcode and fink on my OS X 10.5.5, but still could not install ccp4 with fink.

Re: [ccp4bb] ccp4-6.1.0: iMosflm

2008-12-22 Thread William G. Scott
Hi Harry et al: Well, it it makes you feel any better, imosflm works great for me on ubuntu ibex: http://diablo.ucsc.edu/~wgscott/debian/imosflm_xubuntu_ibex.png I just lost my imosflm virginity at the synchrotron a few nights ago (they have it working or rh at SSRL). If it helps

Re: [ccp4bb] ccp4-6.1.0: iMosflm

2008-12-22 Thread William G. Scott
: Lieven Buts Date: September 5, 2008 1:57:29 AM PDT To: William G. Scott Subject: BLTwish issue Hi, some time ago I read your discussions with the Debian blt package maintainer about the inclusion of the separate bltwish binary, and the problems caused for CCP4i by its absence in the standard

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-06 Thread William G. Scott
The ActiveTcl distribution can be installed anywhere, eg /opt Then point imosflm to the wish binary in that. William G. Scott (via iPod and gmail -- forgive the typos and brevity) Please reply to wgsc...@chemistry.ucsc.edu On Jan 6, 2009, at 3:03 PM, Salgado, Paula p.salg...@imperial.ac.uk

Re: [ccp4bb] Create a dual boot windows-linux machine

2009-01-18 Thread William G. Scott
Both 8.04 and 8.10 (the current Ubuntu version -- why not install that?) have gparted, a very easy to use gui partition editor interface. The defaults are almost certainly what you need, and you can rearrange the sizes of the partitions interactively from the install CD. On Jan 17,

Re: [ccp4bb] cbuccanner.exam failed with libFFTW generated by Intel MKL

2009-01-22 Thread William G. Scott
the calculation go faster and you can't see the difference in the maps, in my experience. HTH, Bill William G. Scott contact info: http://chemistry.ucsc.edu/~wgscott On Jan 22, 2009, at 10:32 PM, Nobuo OKAZAKI wrote: Dear all, I tried to build CCP4 6.1 with Intel Compiler Intel Math

Re: [ccp4bb] small lines in diffraction pattern

2009-01-28 Thread William G. Scott
Hi Bob et al: I think that this is the convolution of the helical transform with the Bragg diffraction, which you often see in nucleic acid diffraction patters. I think I first saw it, in fact, at your beam-line in 1994, with ribozyme crystals. (Aaron Klug had to explain it to me.) The

Re: [ccp4bb] Google marks CCP4 web site as a potential security threat

2009-01-31 Thread William G. Scott
Just download the shiny new Google Chrome web-browser and install the NSA and Homeland Security plug-ins, and the problem will simply disappear. On Jan 31, 2009, at 6:50 AM, Miguel Ortiz Lombardia wrote: Dear all, While searching for some definition of rotations angles I have bumped

Re: [ccp4bb] Google marks CCP4 web site as a potential security threat

2009-01-31 Thread William G. Scott
] On Behalf Of William G. Scott [wgsc...@chemistry.ucsc.edu] Sent: 31 January 2009 15:48 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Google marks CCP4 web site as a potential security threat Just download the shiny new Google Chrome web-browser and install the NSA and Homeland Security plug-ins

Re: [ccp4bb] ccp4 6.1.0 with macbookpro

2009-02-04 Thread William G. Scott
Dear Choel: This is probably my fault I think, not ccp4's. I'll look into it as soon as I get a chance (which means after I teach this afternoon). Sorry for this. Briefly, check the ownership/permissions on ~/.CCP4 and if needed change it so you have write permissions. Bill On Feb

Re: [ccp4bb] Off topic: Crystal degredation with age

2009-02-05 Thread William G. Scott
Some things improve with age. Here is one of my favorite stories: http://tinyurl.com/oldtrna The crystal structure of yeast phenylalanine tRNA at 2.0 Å resolution: cleavage by Mg2+ in 15-year old crystals Luca Jovine, Snezana Djordjevica and Daniela Rhodes We have re-determined the

Re: [ccp4bb] Rigid body refinement as last refinement?

2009-02-06 Thread William G. Scott
Hi Andy: Just be very careful of special pleading type arguments. I really think this is trying to tell you something, along with the Ramachandran plot. On a more practical level, the PDB will flag it when you try to deposit it. There is something wrong. It might be worth making a

Re: [ccp4bb] ccp4-6.1.1 for OS X (fink)

2009-02-07 Thread William G. Scott
On Feb 7, 2009, at 8:16 PM, Engin Ozkan wrote: Hi, everyone, Could there be an error in the ccp4-6.1.1 setup files (ccp4-6.1.1/ include/ccp4.setup) in the fink version? After the last update, my CCP4_MASTER variable was defined as /sw/share/sw/share/xtal. Obviously, that did not work.

Re: [ccp4bb] PDB protein strucutrues as screen saver

2009-02-16 Thread William G. Scott
On Feb 16, 2009, at 10:22 AM, Jayashankar wrote: Dear Scientists, It may be too much... But as a biophysics student I would like to appreciate and feel happy to have pdb structures as my computers screen savers than to have some funny and fancy stuffs. And it may help me as a motivator

Re: [ccp4bb] PDB protein strucutrues as screen saver

2009-02-16 Thread William G. Scott
I just emailed the guy today and asked him if there was any hope of getting an intel version in the future, and he wrote back almost immediately and said he is working on it and is about 90% done. The current one runs only on PPC. I tried to hint subtly that it would be kind of cool to

Re: [ccp4bb] coot crashes

2009-03-02 Thread William G. Scott
On Mar 2, 2009, at 7:47 AM, Justin Lecher wrote: William G. Scott schrieb: On Mar 2, 2009, at 4:25 AM, Vellieux Frederic wrote: Any idea? Is it there? http://www.mail-archive.com/ubuntu-b...@lists.ubuntu.com/msg663049.html It was on the ccp4bb not on thc COOT list. Sue me

Re: [ccp4bb] elbow and compound library

2009-03-03 Thread William G. Scott
Hi Eric: You could try generating a SMILES string for your compound using this: http://www.molinspiration.com/cgi-bin/properties (or search to see if one is available) and feed that into elbow, eg: elbow.builder -- smiles = CC12C

Re: [ccp4bb] Update X11 in macbook

2009-03-11 Thread William G. Scott
On Mar 11, 2009, at 8:49 PM, Raja Dey wrote: Dear Friends, I am using a Mac OS X Version 10.5.6 with Intel Core 2 Duo Processor. At present I have the X Window system --- Xquartz 2.1.5 - (xorg-server 1.3.0-apple22) (2.1.5). I installed many crystallographic tools through fink. When I am

Re: [ccp4bb] Update X11 in macbook

2009-03-12 Thread William G. Scott
On Mar 12, 2009, at 9:01 AM, Andreas Förster wrote: Every night I pray to a different god for version 2.4 to actually work. Prayer might be making it worse, depending upon the wrath and vindictiveness of the imaginary deity of choice:

Re: [ccp4bb] imosflm STARTDIR

2009-03-18 Thread William G. Scott
You could try something like this (bash/zsh/sh): alias imosflm='MOSDIR=${PWD} imosflm' The single quotes are required for it to do the right thing. Bill On Mar 18, 2009, at 6:49 AM, James Foadi wrote: Dear MOSFLM/IMOSFLM people, when I start the new version of imosflm I expect it to

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