Re: [ccp4bb] MRBUMP - PHASER ?

2013-09-11 Thread Ronan Keegan
Hi Douglas, Have you applied all of the automatic updates to your installed version of CCP4? There was a bug relating to this that I fixed at one point and it was pushed out using our update system. However, if you've installed from source code you won't have this option. Best wishes,

Re: [ccp4bb] MrBUMP not running after update

2013-12-16 Thread Ronan Keegan
Dear Jie, Thanks for spotting this problem. I've made a fix for MrBUMP that should address the problem. It will be included in the next CCP4 update which will go out tomorrow (Tuesday 17th of December) all being well. Best wishes, Ronan On 10/12/13 01:34, jie liu wrote: Dear All I just

[ccp4bb] CeBEM/CCP4 South American School in Macromolecular Crystallography - Final week for applications

2014-02-05 Thread Ronan Keegan
Dear Colleagues, This is a reminder about the second CeBEM/CCP4 South American School in Macromolecular Crystallography. The closing date for applications is Monday the 10th of February. This year's school will take place at Sao Carlos University in Brazil. Full details including the

Re: [ccp4bb] AMPLE failure

2014-07-14 Thread Ronan Keegan
Hi Robert, Thanks for your interest in AMPLE and reporting this bug. There is a small bug that has come about as a result of the latest MRBUMP update last week that causes this problem. We're preparing a fix for it which should be in the next ccp4 update towards the end of this week or early

Re: [ccp4bb] Aimless on MS Windows?

2012-06-14 Thread ronan . keegan
Dear Jan, There will be a Windows version of Aimless in the upcoming 6.3.0 release of CCP4 which is due very soon. We'll announce it on the bb when it's ready. Best wishes, Ronan -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Jan Gebauer

Re: [ccp4bb] Mr. Bump and adding FASTA to CCP4 6.3 installation?

2012-08-16 Thread ronan . keegan
Hi Nate, The fasta licencing doesn't allow us to distribute it with the suite so it needs to be downloaded separately. For MrBUMP to find it you should have it somewhere in your system PATH. The easiest thing to do is to put the fasta3? .exe executable into your $CCP4/bin directory. However,

[ccp4bb] CCP4 update 6.3.0 006

2012-10-08 Thread ronan . keegan
, if you have not done so already. Note that auto-updates will work correctly only with CCP4 release 6.3.0, therefore upgrade if necessary. Report bugs to c...@stfc.ac.uk. Many thanks for using CCP4, -- Ronan Keegan -- Scanned by iCritical.

[ccp4bb] CCP4 Study Weekend 2013

2012-11-08 Thread ronan . keegan
Dear All, A quick reminder to you all about this coming January's CCP4 Study Weekend entitled Molecular Replacements (January 3rd-5th 2010). As the title suggests, the meeting will be all about the latest developments in molecular replacement with many leading crystallographers and software

Re: [ccp4bb] CCP4 Study Weekend 2013

2012-11-08 Thread ronan . keegan
Dear All again, DoH! Minor typo in my previous email. The dates are January 3rd-5th 2013! (not 2010). Best wishes, Ronan -Original Message- From: Keegan, Ronan (STFC,RAL,SC) Sent: 08 November 2012 18:06 To: ccp4bb Cc: Miller, Shirley (STFC,DL,SC) Subject: CCP4 Study Weekend 2013

[ccp4bb] CCP4 6.3.0 update 009

2012-11-14 Thread ronan . keegan
...@stfc.ac.uk. Many thanks for using CCP4, -- Ronan Keegan -- Scanned by iCritical.

[ccp4bb] CCP4 Study Weekend 2013

2012-12-03 Thread ronan . keegan
Dear All, A quick reminder that these next few days are the last chance to register for next month's CCP4 Study Weekend. Registration will close next Monday the 10th of December. The meeting will take place at the East Midlands Conference Centre in Nottingham, UK from the 3rd to the 5th of

[ccp4bb] Postdoctoral Position in Structural Biology of Immune Receptors

2012-12-05 Thread ronan . keegan
Dear All, I repost this message on behalf of Dr. Jia-huai Wang, as this position needs to be filled as soon as possible. For inquiries please contact Dr. Wang directly at jw...@red.dfci.harvard.edu Postdoctoral Position in Structural Biology of Immune Receptors: There is an immediate opening

Re: [ccp4bb] Bug of GUI of ACORN?

2012-12-05 Thread ronan . keegan
Dear Jiawei, Thanks for spotting this and bringing it to our attention. It is a serious bug in the interface when using the default protocol for Acorn. When running Acorn to determine heavy atoms the default is to truncate the resolution to 3.5 Angstroms. However this default is there for all

Re: [ccp4bb] Ample, shelxe-beta and F to I conversion confusion

2013-01-28 Thread ronan . keegan
Hi Huw, Well spotted! We originally gave structure factors to SHELXE in our testing as for most of our test cases we only had F/SIGF available. We were advised to change to intensities but somehow in the released version the -f flag remained. I'll make the change and put it in a CCP4 update.

[ccp4bb] CCP4 Update 016

2013-01-28 Thread ronan . keegan
...@stfc.ac.uk Many thanks for using CCP4. Ronan Keegan -- Scanned by iCritical.

Re: [ccp4bb] Thx...

2013-02-01 Thread ronan . keegan
Hi Eugene, Yes we should do this post-haste. First day that we are all present in RAL next week. Ronan -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of eugene.krissi...@stfc.ac.uk Sent: 01 February 2013 09:42 To: ccp4bb Subject: Re: [ccp4bb]

Re: [ccp4bb] remove job posting

2013-02-15 Thread ronan . keegan
Dear Jilliu, If you contact us here at the ccp4 help desk (c...@ccp4.ac.ukmailto:c...@ccp4.ac.uk) we can remove the advert from the CCP4 vacancies website. However, we can't remove it from the various archives of the mailing list that exist around the web. Let me know which advert you want

[ccp4bb] Test. Please ignore

2007-02-20 Thread Ronan Keegan

[ccp4bb] MrBUMP version 0.4.0 release

2007-07-17 Thread Ronan Keegan
Dear All, We're pleased to announce the latest release of MrBUMP. Pre-release version 0.4.0 is now available from the MrBUMP website: http://www.ccp4.ac.uk/MrBUMP The new features include: - The inclusion of the new CCP4i DBviewer, a graphical interface for viewing CCP4i jobs. This will

Re: [ccp4bb] sleeping refmac

2007-07-18 Thread Ronan Keegan
Hi Harry, Might not be the problem but does this machine have its ccp4 scratch space ($CCP4_SCR) mounted from another machine by nfs across a network? Refmac writes a lot of temporary files to CCP4_SCR and if this is across a busy network it can really slow Refmac's progress. Ronan Harry

[ccp4bb] [Fwd: [ccp4]: iso - anisotropic B factor refinement on Refmac5]

2007-12-06 Thread Ronan Keegan
---BeginMessage--- Hi, I had a very curious result when doing a round of isotropic B factor refinement on Refmac5. After iso B my R is 19.2 and Rf 24.3. My resolution is 1.95, what does not justify anisotropic b-factor refinement. However I did it by mistake and it dropped my R to 17.8

[ccp4bb] PostDoctoral Position at SOLEIL

2007-12-10 Thread Ronan Keegan
Dear Colleagues, Within the framework of the SAXIER European Contract, we are developing at SOLEIL, and in collaboration with an NMR team of the ICSN at Gif sur Yvette (CNRS), a piece of software to refine protein 3D structures against NMR Residual Dipole Couplings and solution SAXS

Re: [ccp4bb] protein-protein docking programs

2008-05-02 Thread Ronan Keegan
Hi Jerry, I've not got a whole lot of experience with docking programs but I have used 3D-dock (http://www.sbg.bio.ic.ac.uk/docking/) to do docking trials between two proteins and found it to be easy to set up and use. It uses an algorithm that mainly looks at surface complimentarity between

Re: [ccp4bb] MrBump Installation ccp4

2008-09-17 Thread Ronan Keegan
Hi Daniel, Sorry to hear about your problem with mrbump. You say that you put the Fasta35 executable in the ccp4i bin directory(note the i). This directory is probably not in your system PATH. I would recommend that you put it into the $CCP4/bin which should be in your system path provided

[ccp4bb] Medical Research Council Position in Dundee

2008-10-08 Thread Ronan Keegan
*MRC PROTEIN PHOSPHORYLATION UNIT* *COLLEGE OF LIFE SCIENCES* *UNIVERSITY OF DUNDEE, SCOTLAND* *PROGRAMME LEADER * The Unit invites applications for the above position from scientists with exciting research programmes aimed at understanding the role of protein phosphorylation in cell

Re: [ccp4bb] imosflm and ccp4 v6.1 on linux

2008-12-18 Thread Ronan Keegan
Hi Stephen, Have you a project set up in CCP4i? Make sure that your CCP4i project directory is set before you try to start Imosflm. When run through CCP4i, Imosflm uses this directory to write it's output files. You can set the project directory by clicking on the DirectoriesProjectsDir

Re: [ccp4bb] problem with ccp4 6.1.0 installation

2009-02-04 Thread Ronan Keegan
that you install the official Graphviz distribution available from: http://www.graphviz.org/ This includes the missing fonts and should work for you. Make sure that the new executables for Graphviz precede the CCP4 versions in your PATH. Let me know if this works for you. Kind regards, Ronan

Re: [ccp4bb] Problem with multiple users running ccp4i on one machine

2009-03-18 Thread Ronan Keegan
Database Configuration and un-check the radio button that sets the option to connect to the database server on start up. Then have all your users restart CCP4i. Kind regards, Ronan Keegan CCP4 Group Jun Dong wrote: Dear CCP4 developers, I just wonder if there will be a fix for this problem

[ccp4bb] CCP4 Study Weekend - January 5th-7th 2011

2010-11-17 Thread ronan . keegan
, Ronan Ronan Keegan CCP4 Group

[ccp4bb] CCP4 Study Weekend 2011 - Final week for registration

2010-12-08 Thread ronan . keegan
Dear All, A final reminder about next month's CCP4 Study Weekend entitled Model Building and Refinement and Validation. The meeting will run from the 5th to the 7th of January and will be held at the University of Warwick in the UK. We have a limited number of places left and the deadline for

[ccp4bb] CCP4 SW Web Broadcast

2011-01-06 Thread ronan . keegan
an update as soon as it's available. Our apologies for the inconvenience. Best wishes, Ronan Ronan Keegan CCP4 Group

Re: [ccp4bb] CCP4 SW Web Broadcast

2011-01-06 Thread ronan . keegan
won't be available for the first part of the meeting. We're hoping to fix it as soon as possible and we'll send an update as soon as it's available. Our apologies for the inconvenience. Best wishes, Ronan Ronan Keegan CCP4 Group

[ccp4bb] CCP4 6.2.0 Released

2011-07-22 Thread ronan . keegan
contributed to CCP4 6.2.0 and all of those who have helped in testing it. See you in Madrid! Kind regards, Ronan Ronan Keegan CCP4 Group

[ccp4bb] CCP4 Study Weekend 2012 - Data Collection and Processing

2011-10-18 Thread ronan . keegan
Dear All, This is a reminder about this coming January's CCP4 Study Weekend taking place from the 4th - 6th of January at Warwick University in the UK. The topic for the 2012 meeting will be Data Collection and Processing and a provisional programme is now available. The meeting will cover all

[ccp4bb] CCP4 Study Weekend 2012

2011-11-14 Thread ronan . keegan
Dear all, There's just one week remaining to register at the reduced rate for the upcoming CCP4 Study Weekend in January entitled Data Collection and Processing. The meeting is taking place at the University of Warwick, UK, from the 4th-6th of January 2012. For more details about the meeting

[ccp4bb] CCP4 Study Weekend 2012

2011-12-06 Thread ronan . keegan
Dear All, This a final reminder about next month's CCP4 Study Weekend taking place at Warwick University in the UK from January 4th to 6th. The topic of this meeting will be Data collection and processing. There are still a few registration places remaining but the registration deadline is

Re: [ccp4bb] SCALEPACK2MTZ failed

2009-05-22 Thread Ronan Keegan
Dear Raja, This is a known bug in version 6.1.1. There is a fix for it available from the CCP4 problems pages. See item no. 7 in the following page: http://www.ccp4.ac.uk/problems.php#6.1.1-ccp4i You'll need to download import_scaled.script and replace the version that you have in:

Re: [ccp4bb] CCP4 6.1.0 Balbes error

2009-06-11 Thread Ronan Keegan
an older python such as python 2.6. Kind regards, Ronan Ronan Keegan CCP4 Group Victor Alves wrote: Dear BB Balbes (run from within CCP4i) gave me one MR solution but stopped with this error. I am now using the Balbes WWW server, but could some of you knowledgeable guys have some ideas of might

Re: [ccp4bb] MrBUMP

2009-08-27 Thread Ronan Keegan
with it. Best wishes, Ronan Ronan Keegan CCP4 Group riya doreen wrote: Hi everyone, I am trying to run MrBUMP through the CCP4 6.1.1 but the program is complaining that no multiple alignment programs like mafft, clustalw, clustalw2, probcons, or t_coffee were found on the system. Will I need

[ccp4bb] CCP4 Study Weekend Januay 6th-8th 2010

2009-11-16 Thread ronan . keegan
://www.cse.scitech.ac.uk/events/CCP4_2010/ We hope to see you there. Best wishes, Ronan Ronan Keegan CCP4 Group -- Scanned by iCritical.

[ccp4bb] Protein Biochemist/Crystallographer Position available at Genentech in San Francisco

2010-01-15 Thread ronan . keegan
For more than 30 years, Genentech has been at the forefront of the biotechnology industry, using human genetic information to develop novel medicines for serious and life-threatening diseases. Today, Genentech is among the world's leading biotech companies, with multiple therapies on the market

Re: [ccp4bb] MrBump doesn't work (6.4.0 update)

2014-08-19 Thread Ronan Keegan
tried and it works! Thanks! Marjolein On 19 Aug 2014, at 12:28, Ronan Keegan ronan.kee...@stfc.ac.uk mailto:ronan.kee...@stfc.ac.uk wrote: Hi Marjolein, Thanks for your email and sorry to hear about your problems with MrBUMP. Can you please tell me what OS you are using (Linux, Mac etc

[ccp4bb] Reminder: CCP4 Study Weekend 2015 - Travel bursary application deadline is 31st of October

2014-10-13 Thread Ronan Keegan
*The CCP4 Study Weekend (7 - 9 January 2015)* *East Midlands Conference Centre, University of Nottingham* ** *Wednesday 7 - MX User Meeting* *Thursday 8 / Friday 9 - CCP4 Study Weekend* ** *Advances in Experimental Phasing* ** *We cordially invite you to participate in the 2015 CCP4 Study Weekend

Re: [ccp4bb] I am struggling to compile fasta36

2014-12-16 Thread Ronan Keegan
Dear Pietro, Tim's solution should work for you. If not please let me know. From CCP4 6.5.0 (due very soon), the default sequence search tool in MrBUMP will be Phmmer which will be included in the suite on all supported operating systems. So there won't be the need to download fasta

Re: [ccp4bb] MrBump Behaves Strangely

2015-02-04 Thread Ronan Keegan
Dear Jacob, Thanks for reporting this problem. Can you tell me what version of CCP4 you are using? As an alternative, you can use MrBUMP via the CCP4-online service which is available from here: www.ccp4.ac.uk/ccp4online It's still in development and only goes as far as the Refmac step

[ccp4bb] CCP4 Study Weekend 2015 Advances in Experimental Phasing - Live Web Streaming

2015-01-07 Thread Ronan Keegan
Dear All, The webcast for this year's CCP4 Study Weekend on Advances in Experimental Phasing taking place on the 8/9 of January will be available from the STFC Webinars page: http://www.stfc.ac.uk/webinars A programme for the meeting can be found here: