Re: [ccp4bb] [ccp4bb] Oxford University Press

2018-06-29 Thread Petr Leiman
Indeed! Scientists in the Soviet Bloc got paid for publishing their scientific papers (and maybe for citations as well - not sure about that one)! We need to change the current system! Although these changes could be accompanied by many other pleasant virtues of the Soviet regime. Petr > On

Re: [ccp4bb] Crystal structure of an unknown protein

2017-12-16 Thread Petr Leiman
Petr Leiman University of Texas Medical Branch Department of BMB Basic Sciences Building 6.600D 301 University Blvd Galveston, TX 77555-0647 Cell: 832 908 6635 Office: 409 747 2078 https://scsb.utmb.edu/faculty/Leiman.asp > On Dec 16, 2017, at 4:42 PM, Anastassis Perrakis <a

Re: [ccp4bb] Using Coot and CCP4 program for cryoEM data

2017-05-17 Thread Petr Leiman
If your signal goes all the way to the half Nyquist frequency, oversample your map to have the pixel size equal to 1/3rd of the highest resolution. Your map will look much better in coot. Real space fitting will work much better as well. Best, Petr > On May 17, 2017, at 11:24 AM, MyeongSeon

Re: [ccp4bb] on final R value

2016-03-16 Thread Petr Leiman
A small erratum is needed unfortunately. The sequence identity of 4UHV to 2P5Z is 19% (but not the exceptional 15% as I wrote originally). Nevertheless, Phaser successfully finding a solution for a 19% SI model is no small feat. > On Mar 16, 2016, at 09:48, Petr Leiman <petr.lei...@e

Re: [ccp4bb] CCP4 PATH variable

2015-03-13 Thread Petr Leiman
. On 03/12/2015 08:49 PM, Petr Leiman wrote: Dear Community, What is the reason of placing the CCP4 PATH and other path-related variables in front of existing variables? This forces a linux system to use CCP4-distributed wish in all applications by default. Note that the ccp4i script calls CCP4

[ccp4bb] CCP4 PATH variable

2015-03-12 Thread Petr Leiman
caused by CCP4 wish. Would it be possible to append CCP4 path variables by default instead of rather rudely jumping in front of the queue? Thank you, Petr -- Petr Leiman EPFL BSP 415 CH-1015 Lausanne Switzerland Office: +41 21 69 30 441 Mobile: +41 79 538 7647 Fax: +41 21 69 30 422

[ccp4bb] Meeting announcement: Phage/Virus Assembly (PVA) conference

2015-02-11 Thread Petr Leiman
://pva.scripps.edu/program.html The all-inclusive registration fee is rather modest considering that the site is a 4-star resort hotel and all talks will take place in a large congress hall. Hope to see you in Les Diablerets! Sincerely, Petr Leiman -- Petr Leiman Laboratory of Structural Biology

Re: [ccp4bb] Systematically shifted peak in 2Fo-Fc and BDF maps

2014-04-25 Thread Petr Leiman
On Apr 24, 2014, at 11:39, Petr Leiman petr.lei...@epfl.chmailto:petr.lei...@epfl.ch wrote: Dear All, We are looking for an explanation for a very strange observation. Problem: We have two fully independent data sets (two different crystals), in which the Bijvoet Difference Fourier map peak

[ccp4bb] Systematically shifted peak in 2Fo-Fc and BDF maps

2014-04-24 Thread Petr Leiman
much, Petr -- Petr Leiman EPFL BSP 415 CH-1015 Lausanne Switzerland Office: +41 21 69 30 441 Mobile: +41 79 538 7647 Fax: +41 21 69 30 422

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Petr Leiman
today and we can simply ignore it. Petr Petr Leiman EPFL Switzerland On 04/02/2014 04:39 AM, Edward A. Berry wrote: Encouraged by recent help from the BB in filling in gaps in my understanding, maybe I can get help with another question: At the top of page 121 in Blundell and Johnson

Re: [ccp4bb] AW: [ccp4bb] Dependency of theta on n/d in Bragg's law

2013-08-23 Thread Petr Leiman
275339 -- Petr Leiman EPFL BSP 415 CH-1015 Lausanne Switzerand Office: +41 21 69 30 441 Mobile: +41 79 538 7647 Fax: +41 21 69 30 422

Re: [ccp4bb] phaser 2.5.2 in ccp4 6.3.0 does not output Hendrickson Lattman coefficients

2013-07-03 Thread Petr Leiman
know why you find this feature extremely useful? Best wishes, Randy Read On 2 Jul 2013, at 18:41, Petr Leiman petr.lei...@epfl.ch wrote: I have just found out that phaser v. 2.5.2 in ccp4 6.3.0-021 does not output columns with HL coefficients. I cannot find a combination of buttons

[ccp4bb] phaser 2.5.2 in ccp4 6.3.0 does not output Hendrickson Lattman coefficients

2013-07-02 Thread Petr Leiman
has not been discovered and fixed already. If there is a reason to this new output column behavior, it would be very useful to hear this reason. Sincerely, Petr -- Petr Leiman EPFL BSP 415 CH-1015 Lausanne Switzerand Office: +41 21 69 30 441 Mobile: +41 79 538 7647 Fax: +41 21 69 30 422

Re: [ccp4bb] Strand distorsion and residue disconnectivity in pymol

2013-05-30 Thread Petr Leiman
/ribspline.html Best wishes, Petr -- Petr Leiman EPFL BSP 415 CH-1015 Lausanne Switzerland Office: +41 21 69 30 441 Mobile: +41 79 538 7647 Fax: +41 21 69 30 422 From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK] on behalf of Jason Vertrees [jason.vertr

[ccp4bb] Postdoctoral position in Switzerland

2013-05-16 Thread Petr Leiman
and additional information please contact Prof. Petr Leiman (petr.lei...@epfl.chmailto:petr.lei...@epfl.ch) --- Petr Leiman EPFL BSP 415 CH-1015 Lausanne Switzerland Office: +41 21 69 30 441 Mobile: +41 79 538 7647 Fax: +41 21 69 30 422

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Petr Leiman
to block emails with 1+MB attachments? Thank you, Petr Prof. Petr Leiman EPFL BSP-415 CH-1015 Lausanne Switzerland On Mar 27, 2013, at 5:22 PM, Tom Van den Bergh wrote: Dear members of ccp4bb, I need some help with the refinement of my structure of a variant of mRFP

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Petr Leiman
Since this is now public domain knowledge and if this gets ever published, Phil has my vote to be the first author! Petr On Mar 27, 2013, at 6:09 PM, Phil Jeffrey wrote: That's quite brave - shipping your entire structure to people that could be actual competitors. But it was fun to play

Re: [ccp4bb] Hgen ccp4i gui is broken

2012-11-23 Thread Petr Leiman
or CCP4BB. Thank you, Petr On Nov 22, 2012, at 3:04 PM, Petr Leiman wrote: Dear all, Hgen GUI does not start (the error message is below). The CCP4 version is 6.3.0-009 (64 bit). The system is 2.6.35-32-generic #67-Ubuntu SMP x86_64 GNU/Linux. Is this unique to our system

[ccp4bb] Hgen ccp4i gui is broken

2012-11-22 Thread Petr Leiman
Dear all, Hgen GUI does not start (the error message is below). The CCP4 version is 6.3.0-009 (64 bit). The system is 2.6.35-32-generic #67-Ubuntu SMP x86_64 GNU/Linux. Is this unique to our system configuration? Thank you. Petr The error message is: can't use non-numeric string as operand

[ccp4bb] coot, shelx res files and R32 (H32)

2012-11-19 Thread Petr Leiman
in the future. Thank you, Petr Petr Leiman EPFL BSP-415 CH-1015 Lausanne Switzerland

Re: [ccp4bb] coot, shelx res files and R32 (H32)

2012-11-19 Thread Petr Leiman
(mainly for small molecules) and no known bugs, so I hope to release it soon. If anyone would like to try it now please send me an email. George On 11/19/2012 02:13 PM, Petr Leiman wrote: Dear Developers of Coot, I believe that coot has never been able to display the crystallographic

Re: [ccp4bb] Tool for calculating RMSD

2012-06-19 Thread Petr Leiman
them, i.e. to move all (or selected) atoms to be as close in space as possible and only then calculate the RMSD for the superimposed or all atoms. Thank you in advance, Petr Petr Leiman EPFL BPS-415 CH-1015 Lausanne Suisse On Jun 19, 2012, at 5:04 PM, Claudia Millán Nebot

Re: [ccp4bb] Tool for calculating RMSD

2012-06-19 Thread Petr Leiman
On Jun 20, 2012, at 12:38 AM, Jacob Keller wrote: Is part of your question based there being many ways to superimpose structures, which there are? JPK On Tue, Jun 19, 2012 at 5:34 PM, Petr Leiman petr.lei...@epfl.ch wrote: Would anyone be kind enough to explain what kind of information

Re: [ccp4bb] Postdoc postion at SLS

2012-05-09 Thread Petr Leiman
Jacob, do not worry. Data collection for a typical crystal takes only 0.75 seconds. Petr On May 9, 2012, at 5:18 PM, Jacob Keller wrote: I saw something online about the EIGER 16M: 201 GB of data per second! Is that number correct? JPK On Wed, May 9, 2012 at 9:58 AM, Meitian Wang

Re: [ccp4bb] Envelope Phasing.

2012-03-13 Thread Petr Leiman
. The presence of high NCS does not guarantee a success even if your initial model is good as described in Section 9 here: http://www.ncbi.nlm.nih.gov/pubmed/11526317 Petr -- Petr Leiman EPFL IPSB-LBBS BSP-415 CH-1015 Lausanne Suisse

Re: [ccp4bb] MAD

2012-01-19 Thread Petr Leiman
It would be so much more convenient to call these techniques (MAD, SAD, etc.) by their inventor's name. This would simplify things immensely simultaneously eliminating CCP4BB MADisagreements. Although in our days of copyrights wars, the journals and perhaps conferences where these methods

Re: [ccp4bb] MAD

2012-01-19 Thread Petr Leiman
to receive this message twice... Dale Tronrud On 1/19/2012 12:51 PM, Petr Leiman wrote: It would be so much more convenient to call these techniques (MAD, SAD, etc.) by their inventor's name. This would simplify things immensely simultaneously eliminating CCP4BB MADisagreements

Re: [ccp4bb] Efficient way of showing residue conservation

2011-12-08 Thread Petr Leiman
Dear Bostjan, There is Chimera for almost anything you can think of. Search for Structure-Based Sequence Alignment on this page: http://www.cgl.ucsf.edu/chimera/features.html Petr On Dec 8, 2011, at 6:39 AM, Bostjan Kobe wrote: Consurf will do this for you. Bostjan --- Bostjan Kobe

Re: [ccp4bb] Efficient way of showing residue conservation

2011-12-08 Thread Petr Leiman
Do I feel stupid! My previous message about Chimera should have been addresses to Yuri Pompeu, but not to Bostjan Kobe. Sincerely, Petr On Dec 8, 2011, at 6:26 AM, Yuri Pompeu wrote: I once saw a figure showing the protein as surface, but instead of having it coloured by atom type or

Re: [ccp4bb] better way to post your density snapshots

2011-12-08 Thread Petr Leiman
herman.schreu...@sanofi.com wrote: I am not sure that sending links is the way to go. Our company blocks many websites that it considers not of professionel interest and were employees may spend too much time. What a brilliant idea! If only this could be implemented in academia. Our Ph.D.

Re: [ccp4bb] better way to post your density snapshots

2011-12-08 Thread Petr Leiman
For the second time today I have to apologize. In no way I wanted to discourage anyone and especially people new to crystallography from posting questions to this BB. Especially good thoughtful questions. Sincerely, Petr On Dec 8, 2011, at 5:24 PM, Petr Leiman wrote: herman.schreu

Re: [ccp4bb] PHENIX vs REFMAC refinement had me fooled

2011-12-08 Thread Petr Leiman
Dear Tim, I agree with you completely. The question then becomes why does the automatic weighting scheme in refmac allow R and R-free to run away from each other by 8% in a 1.1 A resolution structure? Petr On Dec 8, 2011, at 6:50 PM, Tim Gruene wrote: -BEGIN PGP SIGNED MESSAGE-

Re: [ccp4bb] off-topic: Topology diagram

2011-11-03 Thread Petr Leiman
That lmgtfy.com is as almost as cool as HHpred. Thanks for a very useful piece of information! Petr On Nov 3, 2011, at 2:06 PM, Tim Gruene wrote: -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Zhang Qi, I like this url: http://www.lmgtfy.com/?q=topology+diagram+protein which

[ccp4bb] phaser 2.3.0 floating point exception

2011-09-06 Thread Petr Leiman
run it stopped in the middle of TF. The remedy is to explicitly lower the resolution of the input data (that was a 1.2 A resolution data with a smallish unit cell). I can provide the log files and the mtz file if necessary. Sincerely, Petr --- Petr Leiman EPFL IPSB-LBBS BSP

[ccp4bb] Denzo/HKL2000 for Pilatus 6M detector

2011-07-20 Thread Petr Leiman
Dear all, What is the status of Denzo/HKL2000 availability/support for the Pilatus 6M detector? Thank you, Petr

Re: [ccp4bb] generate large symmetry model

2011-06-30 Thread Petr Leiman
Apologies for suggesting a non-CCP4 solution, but UCSF Chimera can do that and more (interactively!): Tools - Higher Order Structure - Unit cell Petr On Jun 30, 2011, at 2:52 PM, Hargreaves, David wrote: Does anyone have a rigorous method (or script) for generating an extended lattice

Re: [ccp4bb] Nanodrop versus Nanophotomter Pearl versus good old Bradford.

2011-06-16 Thread Petr Leiman
Totally support the statements below. We have had several proteins with A280 absorbance of 0.1 or less (at 1 mg/ml). You _have_ to use Bradford in the Nanodrop or whatnot to measure the concentration. Before purchasing the Nanodrop we used a Hellma TrayCell and a normal UV/Vis instrument.

Re: [ccp4bb] Femtosecond Electron Beam

2011-04-15 Thread Petr Leiman
beam? Shall we discuss off line (with Jacob) and present our conclusions when/if we get agreement? Regards Colin -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Petr Leiman Sent: 14 April 2011 22:59 To: CCP4BB@JISCMAIL.AC.UK Subject

Re: [ccp4bb] Femtosecond Electron Beam

2011-04-14 Thread Petr Leiman
People are looking into how to fit the old retired MeV microscopes with pulsed electron guns (problem is there are very few of those beasts left). If this works, such a machine will produce equivalent results to FEL but at a fraction of the cost. The group at Eindhoven, which Colin had

Re: [ccp4bb] Femtosecond Electron Beam

2011-04-14 Thread Petr Leiman
] On Behalf Of Petr Leiman Sent: 14 April 2011 16:23 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Femtosecond Electron Beam People are looking into how to fit the old retired MeV microscopes with pulsed electron guns (problem is there are very few of those beasts left). If this works

Re: [ccp4bb] Femtosecond Electron Beam

2011-04-14 Thread Petr Leiman
Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Petr Leiman Sent: 14 April 2011 21:07 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Femtosecond Electron Beam Dear Colin and all interested in the FEL development. Please look at the figures in the first

Re: [ccp4bb] Question about movie making

2011-03-08 Thread Petr Leiman
Hi Mark, What about UCSF Chimera? Very easy to use. http://www.cgl.ucsf.edu/chimera/tutorials/movies08/moviemaking.html More on the topic: http://www.cgl.ucsf.edu/chimera/animations/animations.html Check out the Nuclear pores movie. Amazing stuff. A few years back one had to pay huge $$$ for

Re: [ccp4bb] linux flavors

2011-02-24 Thread Petr Leiman
Another vote for Ubuntu. I have to say that a Live CD version is not a good test of this excellent Linux distro. We have 3 identical PCs. On two of these the latest version of 10.10 64bit live cd loads to a blank (completely black) screen. Google: blank screen ubuntu live cd - thankfully there

[ccp4bb] Slightly off topic: Winter school announcement

2009-10-14 Thread Petr Leiman
CHF per day. The registration deadline: October 31, 2009 http://ipsb.epfl.ch/page82078.html Sincerely, Petr - Petr Leiman Head of the Laboratory of Structural Biology and Biophysics Institut de

Re: [ccp4bb] temperature after 30 minutes using microscopes ?

2009-01-21 Thread Petr Leiman
an older generation Nikon instrument (halogen lamp) with an objective of a smaller aperture. Petr - Petr Leiman École Polytechnique Fédérale de Lausanne (EPFL) Cubotron/BSP-415 CH-1015 Lausanne Switzerland - Original Message - From: Jürgen Bosch jubo

[ccp4bb] arp/warp 7.0.1 and ccp4i

2009-01-12 Thread Petr Leiman
Hello all, While testing a newly installed ARP/wARP interface (ver. 7.0.1) in ccp4i (ver. 6.1.0) on Ubuntu (8.10) I noticed that the Fobs and Sigma pull-down menus are missing from the ARP/wARP Quick Fold window. This is accompanied by the following error message, which is output in stderr by

[ccp4bb] Postdoctoral position in Michael Rossmann's laboratory

2008-09-19 Thread Petr Leiman
A post-doctoral position is available (in the department of Biological Sciences, Purdue University, Indiana 47907, USA) for structural studies of viruses and their interaction with host cells. Applicants should have experience in virus or protein crystallography and in molecular biology.

[ccp4bb] Ph.D. student and Postdoctoral positions in Structural Biology/Biophysics at the Swiss Federal Institute of Technology in Lausanne (EPFL)

2008-08-05 Thread Petr Leiman
, biophysics or biochemistry are encouraged to apply. The positions are available starting October 1st, 2008. Applicants are invited to send a CV and a letter of motivation describing research experience, interests and key accomplishments, and contact information of two to four referees to Dr. Petr

[ccp4bb] Postdoctoral job in the laboratory of Michael Rossmann

2008-07-01 Thread Petr Leiman
On behalf of Michael Rossmann: A post-doctoral position is available in a virus structure laboratory. Applicants should have experience in computer program development or adaptation for crystallography or electron microscopy. Please e-mail applications to Michael Rossmann, [EMAIL PROTECTED]

Re: [ccp4bb] Fwd: [ccp4bb] crystallisation and mosaicity

2008-06-05 Thread Petr Leiman
yes you are right, but I assumed if people see a cloud of condensed fog over their LN2 bath they should remove that by a) filling up the bowl completely e.g. some LN2 drips out of the bowl b) blow the fog away before you dip I think the original poster meant the relatively low heat conduction

Re: [ccp4bb] def file for restraining dna and long helices

2008-04-10 Thread Petr Leiman
Dear Raja, Do you seriously believe that you will find help on this board after making us all download your 2 * 4.1 MB of crap NOT RELATED TO CCP4??? Good luck in your future endeavors! Petr - Original Message - From: Raja Dey [EMAIL PROTECTED] To: CCP4BB@JISCMAIL.AC.UK Sent:

Re: [ccp4bb] The importance of USING our validation tools

2007-08-23 Thread Petr Leiman
- Original Message - From: Jenny Martin [EMAIL PROTECTED] To: CCP4BB@JISCMAIL.AC.UK Sent: Thursday, August 23, 2007 5:46 PM Subject: Re: [ccp4bb] The importance of USING our validation tools My question is, how could crystals with 80% or more solvent diffract so well? The best of the

Re: [ccp4bb] Movie for Powerpoint in windows

2007-06-16 Thread Petr Leiman
I just found this old thread in my CCP4 folder. 1. mencoder can convert pymol's quicktime format movies into avi movies. 2. Powerpoint movie handling is beyond ancient and sometimes AVI movies can be played in MS mediaplayer but Powerpoint would not play them. The remedy is to use good-sized