Re: [ccp4bb] Sequence Alignment Question

2011-08-18 Thread Edward A. Berry
Yuri wrote: Hello Everyone, A little off topic but, what is a good way to show (publication quality) multiple sequence alignment? I am trying to show conserved regions in related proteins from different organisms. Thank you -- Yuri Pompeu or clustalw, e.g. http://npsa-pbil.ibcp.fr/cgi-bin/ali

Re: [ccp4bb] structure based superposition

2011-08-18 Thread Joseph Brock
Hi Suda, You can do this in Coot by loading the two structures, then using the tool Calculate-> SSM superpose. The rmsd value and sequence identity should be reported within your terminal window. Hope that helps. -Joe Date: Thu, 18 Aug 2011 14:40:32 +0530 From: biobud...@gmail.com Subje

Re: [ccp4bb] Sequence Alignment Question

2011-08-18 Thread chandan kishore
Use ALINE sequence editor. if you multiple sequence alignment file from clustalW, you can open in ALINE software and generate publication quality of image. http://crystal.bcs.uwa.edu.au/px/charlie/software/aline/  --- On Thu, 18/8/11, Yuri wrote: From: Yuri Subject: [ccp4bb] Sequence Alignm

[ccp4bb] Off topic_protein degradation.

2011-08-18 Thread joybeiyang
Dear all, I am trying to crystallize a protein for which the yield and solubility were both fine. However, this protein has a severe problem of degradation. When stored at RT, the protein will degrade madly into pieces, while stored at 4 degree, the degradation is much slower and a relatively

Re: [ccp4bb] more Computer encryption matters

2011-08-18 Thread Eric Bennett
For anything other than the most intensive I/O operations, recent processors will give you very respectable performance. I don't encrypt whole drives but I do have some AES-encrypted disk images in Snow Leopard, and I get about 38 MB/sec throughput copying (using cp) and 60 MB/sec reading (whil

[ccp4bb] Microcrystal cryo

2011-08-18 Thread Katherine Sippel
Hi all, I was wondering with the all of the advances in microbeam technology and hardware, what is the best methods for cryoprotecting microcrystals? Are oils better than solutions? How do you address the excess liquid issues? Is there a way to test the conditions prior to shipping it off to the s

Re: [ccp4bb] Sequence Alignment Question

2011-08-18 Thread Vitali Stanevich
You can try this site: http://espript.ibcp.fr/ESPript/cgi-bin/ESPript.cgi If you have .pdb for one of your sequences, you'll be able to show secondary structure also. vitali On Thu, Aug 18, 2011 at 6:31 PM, Yuri wrote: > Hello Everyone, > A little off topic but, what is a good way to show (pub

Re: [ccp4bb] more Computer encryption matters

2011-08-18 Thread Francois Berenger
On 08/18/2011 09:34 PM, Andreas Förster wrote: Since we're on the subject... I've been tempted on and off to encrypt my hard drive, but after getting burned once a hundred years ago when encrypted data turned into garbled bytes all of a sudden I've been hesitant. I've gone so far as to install Tr

[ccp4bb] Sequence Alignment Question

2011-08-18 Thread Yuri
Hello Everyone, A little off topic but, what is a good way to show (publication quality) multiple sequence alignment? I am trying to show conserved regions in related proteins from different organisms. Thank you -- Yuri Pompeu

Re: [ccp4bb] more Computer encryption matters

2011-08-18 Thread William G. Scott
OS X 10.7 enables you to do whole-drive encryption. Here is a description from Arse Technica: http://arstechnica.com/apple/reviews/2011/07/mac-os-x-10-7.ars/13 I ain't never tried it myself. 10.7 seems to run slow enough as it is. -- Bill On Aug 18, 2011, at 5:34 AM, Andreas Förster wrote:

[ccp4bb] Thankyou re encryption matters

2011-08-18 Thread Jrh
Dear Colleagues, Thankyou for your detailed, and prompt, helpful advice on this issue, which I much appreciate. I see that I have overestimated my anxieties but should probably still move a little cautiously. Thus I will first suggest to my IT encryptors' taskforce, for want of a better term,

[ccp4bb] PDBe introduces PDBeXpress - easy-to-use yet powerful PDB analysis tools

2011-08-18 Thread Gerard DVD Kleywegt
Hi all, As part of its recent summer update, the Protein Data Bank in Europe (PDBe; http://pdbe.org) introduced PDBeXpress (http://pdbe.org/express), an umbrella name for a set of easy-to-use yet powerful PDB analysis tools. The first two modules can be used to answer questions such as "what r

Re: [ccp4bb] question about SIGF

2011-08-18 Thread Ethan Merritt
On Thursday, August 18, 2011 08:19:13 am G Y wrote: > Dear all, > > I am a student in crystallography. So not quite familiar with some even > basic concepts. > > In shelx .hkl file or ccp4 .mtz file there is a column SIGF which is related > to standard deviation of the structure factor. I read t

Re: [ccp4bb] Morph with Chimera: how to make visible connection/interaction in Morph

2011-08-18 Thread Ed Pozharski
On Thu, 2011-08-18 at 17:23 +0100, WENHE ZHONG wrote: > Dear all, > > I would like to show the visible metal-residue interaction during the > Morph movie. Anyone knows how to do that in Chimera? Thank you. > > King regards, > Wenhe > IIUC, you have worked out how to generate the morph traject

Re: [ccp4bb] Morph with Chimera: how to make visible connection/interaction in Morph

2011-08-18 Thread Boaz Shaanan
Hi, You'd be better off sending this query to the Chimera BB: chimera-us...@cgl.ucsf.edu Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer

[ccp4bb] Morph with Chimera: how to make visible connection/interaction in Morph

2011-08-18 Thread WENHE ZHONG
Dear all, I would like to show the visible metal-residue interaction during the Morph movie. Anyone knows how to do that in Chimera? Thank you. King regards, Wenhe

Re: [ccp4bb] structure based superposition

2011-08-18 Thread James Stroud
Check out Theseus: http://www.theseus3d.org/ You will need a sequence based alignment. This alignment can be provided automatically by muscle if you have it installed (http://www.drive5.com/muscle/)--this is different from pymol. Pymol seems to do an SVD to obtain the alignment. I'm not up to d

[ccp4bb] Prodrug bugs

2011-08-18 Thread Nicholas Keep
Dear CCP4 There is a bug in the ccp4i interface to prodrug on both linux and windows. There is a title line that is read in to the command file which means the software does not run Unrecognised keyword. This can be removed using the run and view com file option However on windows I then get the

Re: [ccp4bb] structure based superposition

2011-08-18 Thread Jim Fairman
You can do structure based sequence alignments using STRAP. It's java based and free. On Aug 18, 2011 5:20 AM, "Suda Ravindran" wrote: > Dear all, > > I would like to know the tools/servers/programs that can be used for > structure based superposition of two or more proteins. Please help me > out.

Re: [ccp4bb] structure based superposition

2011-08-18 Thread Jason Vertrees
Hi Shilong, On Thu, Aug 18, 2011 at 5:55 AM, Shilong Fan wrote: > normaly you can do it in the pymol. In the main interface, on the left menu, > there is a:"A" button, click it, then looking for "Aliagn". Then you can do > it. > > But I prefer to use CCP4, in CCp4 there is a tool : Superpose. Y

Re: [ccp4bb] structure based superposition

2011-08-18 Thread Suda Ravindran
Dear all, Thanks a lot helping me out. I shall try it out... :) -Suda On Thu, Aug 18, 2011 at 3:52 PM, Phil Evans wrote: > ... and in ccp4mg > > On 18 Aug 2011, at 10:55, Shilong Fan wrote: > > > normaly you can do it in the pymol. In the main interface, on the left > menu, there is a:"A" butt

[ccp4bb] question about SIGF

2011-08-18 Thread G Y
Dear all, I am a student in crystallography. So not quite familiar with some even basic concepts. In shelx .hkl file or ccp4 .mtz file there is a column SIGF which is related to standard deviation of the structure factor. I read through many text book for crystallography, there are many formulas

Re: [ccp4bb] more Computer encryption matters

2011-08-18 Thread Pete Meyer
What software do people on the bb use for encryption? What can be recommended without hesitation? I've had no problems with TrueCrypt, which I've been using on linux and OS X for ~4 years (for personal systems, not lab ones). But I haven't used it for storing files I've been doing anything I

[ccp4bb] more Computer encryption matters

2011-08-18 Thread Andreas Förster
Since we're on the subject... I've been tempted on and off to encrypt my hard drive, but after getting burned once a hundred years ago when encrypted data turned into garbled bytes all of a sudden I've been hesitant. I've gone so far as to install TrueCrypt (on a MacBook), but I haven't put i

Re: [ccp4bb] Computer encryption matters

2011-08-18 Thread Eric Bennett
John, Since so many people have said it's flawless, I'd like to point out this is not always the case. The particular version of the particular package that we have installs some system libraries that caused a program I use on a moderately frequent basis to crash every time I tried to open a f

Re: [ccp4bb] COOT library

2011-08-18 Thread Huw Jenkins
On 18 Aug 2011, at 09:29, Eric Karg wrote: > Thanks Huw. Unfortunately I have the same problem when using the new > libraries. Maybe it has something to do with the pdb file (output from > Phaser) I'm trying to refine. Do I have to rename the residues in the pdb > file or is there another trick

[ccp4bb] Postdoc Positions at EMBL Grenoble

2011-08-18 Thread Matthias Haffke
The Schaffitzel laboratory at the European Molecular Biology Laboratory (EMBL) Grenoble, France seeks to recruit outstanding postdoctoral scientists in structural biology. We study the structure and function of large macromolecular complexes in gene expression. The project involves structure de

Re: [ccp4bb] COOT library

2011-08-18 Thread Huw Jenkins
On 18 Aug 2011, at 09:29, Eric Karg wrote: > Thanks Huw. Unfortunately I have the same problem when using the new > libraries. Maybe it has something to do with the pdb file (output from > Phaser) I'm trying to refine. Do I have to rename the residues in the pdb > file or is there another trick

Re: [ccp4bb] structure based superposition

2011-08-18 Thread Phil Evans
... and in ccp4mg On 18 Aug 2011, at 10:55, Shilong Fan wrote: > normaly you can do it in the pymol. In the main interface, on the left menu, > there is a:"A" button, click it, then looking for "Aliagn". Then you can do > it. > > But I prefer to use CCP4, in CCp4 there is a tool : Superpose. Y

[ccp4bb] pdb file format for sugars

2011-08-18 Thread REX PALMER
Dear All The following is part of a pdb file for a protein containing two galactose molecules. In this form programs like Accelerys using the Hierarchy facility selects the two galactoses in the same operation. Does anyone know how they could be labelled so that they can be selected individuall

Re: [ccp4bb] structure based superposition

2011-08-18 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hello Suda, You can use - - lsqkap - - lsqman - - tools available in coot - - pymol - - probably something like phenix.superpose ... Cheers, Tim On 08/18/2011 11:10 AM, Suda Ravindran wrote: > Dear all, > > I would like to know the tools/servers/pr

Re: [ccp4bb] structure based superposition

2011-08-18 Thread Shilong Fan
normaly you can do it in the pymol. In the main interface, on the left menu, there is a:"A" button, click it, then looking for "Aliagn". Then you can do it. But I prefer to use CCP4, in CCp4 there is a tool : Superpose. You can fine any region you want to do superpose.

[ccp4bb] structure based superposition

2011-08-18 Thread Suda Ravindran
Dear all, I would like to know the tools/servers/programs that can be used for structure based superposition of two or more proteins. Please help me out..!! Thanks, -Suda

Re: [ccp4bb] crystal Packing

2011-08-18 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Eswar, you can not only alter the protein concentration but also the precipitant concentration. If your protein really is soluble before you set up the crystallisation trials, you are bound to find a condition without crystals by lowering the pre

[ccp4bb] crystal Packing

2011-08-18 Thread eswar reddy
Dear All I was working two domain protein and i have an hexagonal look like crystals from additive screen, now i am facing problem these crystal are growing in 2 minutes even in cold room even at lower protein concentration @2mg/ml . and i have an smeary data of 7 Å, and we

Re: [ccp4bb] COOT library

2011-08-18 Thread Eric Karg
Thanks Huw. Unfortunately I have the same problem when using the new libraries. Maybe it has something to do with the pdb file (output from Phaser) I'm trying to refine. Do I have to rename the residues in the pdb file or is there another trick?

Re: [ccp4bb] Computer encryption matters

2011-08-18 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Or a USB-stick with the key, but in this case don't get your laptop being stolen with the USB-stick near-by ;-) Tim On 08/18/2011 03:26 AM, Francois Berenger wrote: > [...] > Another minor drawback is that you will possibly need a password to boot >

Re: [ccp4bb] Computer encryption matters

2011-08-18 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear John, encrypted disks are completely transparent once the system is up and running. The only issue will be a slow-down for disk I/O intense operations, e.g. copying a large amount of data takes noticably longer on an encrypted disk - but not too