Re: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7]

In answer to Paul, should be available soon. Targeting Monday. -Original Message- From: CCP4 bulletin board On Behalf Of Paul Emsley Sent: 09 August 2023 15:31 To: ccp4bb Subject: Re: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7] On

[ccp4bb] FW: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7]

Hi The current version of coot in ccp4 (on osx and linux) is 0.9.8.8, since update 12 in June Charles -Original Message- From: CCP4 bulletin board On Behalf Of Paul Emsley Sent: 18 July 2023 17:11 To: ccp4bb Subject: [ccp4bb] Monomer Library [was Re: [ccp4bb] Real Space refinement is

[ccp4bb] ccp4 update 009

Dear All A little late, but update to 8.0 009 is now available. Brief description: ccp4cloud -update to 1.7.010 https://cloud.ccp4.ac.uk/manuals/html-userguide/jscofe_version_log.html ccp4i2 - update to v2.0. https://ccp4i2.gitlab.io/rstdocs/updatelog/index.html cbuccaneerNN - new model

Re: [ccp4bb] Coot (& phenix) on Ventura

Hi Pat There may well be issues with the latest xquartz (2.8.3+) as the libcairo compatibility version has changed to 1 from being 11 thousand odd. This means that anything built against an older installation will fail. The workaround is to use an older xquartz, such as 2.8.0. That

Re: [ccp4bb] CCP4 8.0.008 Python2 <-> 3 problem

Hi Michael New version coming on Friday. Should fix the issues. You will be able to upgrade using ccp4um Sorry for the issues Charles From: CCP4 bulletin board on behalf of Michael Weyand Date: Thursday, 16 February 2023 at 07:30 To: ccp4bb Subject: [ccp4bb] CCP4 8.0.008 Python2 <-> 3

[ccp4bb] Jiscmail message on disruption

https://www.jiscmail.ac.uk/20230111-ServiceDisruption.html "On Thursday, 05 January 2023, we received notification that one of the email servers used by JiscMail was listed on a global spam "blacklist", causing recipient mail servers to start rejecting JiscMail posts. We reported the issue to

[ccp4bb] issues

Dear All Jisc, who we use to run the ccp4bb have been having issues delivering to some (a lot) of e-mail addresses. So far 1400 addresses have been unsubscribed, and another 2000 are being monitored. I have turned for automatic removal (I think) and asked that the status of the list be

Re: [ccp4bb] Jenkins?

Can solve the mystery of Jenkins, it is our build system. Charles On 25/09/2022, 19:36, "CCP4 bulletin board" wrote: Hello David, maybe a binary in $CBIN with the same name as a system command? (try, e.g. 'apropos truncate' truncate (1) - shrink or extend the size of a file to the

Re: [ccp4bb] CCP4i under M1Pro

That openmp is not functioning is an issue that I will investigate. It should be, so something is wrong. Mostly I find that Sophos is sitting there using 2 cores, and much of my IO. Charles From: CCP4 bulletin board on behalf of Randy John Read Date: Tuesday, 28 June 2022 at 20:16 To:

[ccp4bb] CCP4/CCP-EM workshop at ECM33

Dear All There will be a CCP4/CCP-EM workshop on the two days prior to the ECM33 meeting at Soleil. Details and registration are at https://www.ecm33.fr/ccp4andccpemworkshops Accommodation will be provided at the Soleil guest house during the workshop (individual’s responsibility to pay,

[ccp4bb] CCP4/CCP-EM workshop at ECM33

Dear All Following on for the CSD workshop e-mail there will be a joint CCP4/CCP-EM event at ECM33 https://www.ecm33.fr/copie-de-mechanical-properties Date : 21 & 22 August 2022 Venue : Synchrotron SOLEIL<https://www.synchrotron-soleil.fr/fr/venir-soleil> Organizer : Charl

Re: [ccp4bb] Security blockage: CCP4 installation on macOS Big Sur

Hi Yong What I normally do is sudo xattr –rc /Applications/ccp4-7.1 getting rid of the extended attributes seems to fix Charles From: CCP4 bulletin board On Behalf Of Yong Tang Sent: 29 September 2021 22:17 To: ccp4bb Subject: [ccp4bb] Security blockage: CCP4 installation on macOS Big Sur

Re: [ccp4bb] Issues in new Mac version 10.15

Dear All as has been pointed out, and as per usual, OS X updates seem to remove some of the setup for XQuartz, which will cause most X11 based apps to stop working. It is best to re-install XQuartz. This will work for an updated system that had CCP4 previously installed on it. We have had a

[ccp4bb] shelxe update

Dear All Ccp4 update 067 has been released and contains the updated shelxe All the best Charles To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

[ccp4bb] CCP4 Study Weekend Early Bird ending

Dear All a heads up that the early bird registration, and closing date for student bursaries, is Sunday 18th November 2018 i.e. this Sunday! For more info see http://www.cvent.com/d/sgq8q6/1K?cpc=N7N8SK89V8N Regards Karen McIntyre Scientific Computing Department - CCP4

[ccp4bb] U-M Center for Structural Biology Research Fellow position

On behalf of Ashley Schork, University of Michigan: Good morning, I am reaching out on behalf of Jeanne Stuckey from the University of Michigan Life Sciences Institute Center for Structural Biology. The Center for Structural

[ccp4bb] forming a 3D bioinformatics community

Structural bioinformatics is shaping its Community Relevance of structural informatics Structural bioinformatics has a broad impact across the life sciences and provides tools to archive, visualise, analyse, annotate, and predict the structure of biological macromolecules. Furthermore, the

[ccp4bb] ccp4 release 7.0 update 061 - major update to monomer library!

Dear All ccp4 release update 061 is now available for updating and downloading. It contains * monomer library - major update - 7000 new monomers - 8000 updated monomers * refmac - updated for new monomer library * buccaneer - new EM reference structure This is a recommended update

[ccp4bb] ccp4 release 7.0 update 061

Dear All ccp4 update 061 to release 7.0 is now available. It contains * DIALS 1.10.4 and XIA2 0.5.582 - release notes: https://github.com/dials/dials/releases/tag/v1.10.0 * molprobity 4.4 - scripts molprobity.molprobity, molprobity.clashscore, molprobity.cablam, probe, reduce, etc -

[ccp4bb] SPring-8/CCP4 workshop on data collection and structure solution

Dear All 10 days to the registration closure for the second CCP4/Spring-8 (RIKEN) workshop running from 1-6 October 2018. This workshop will cover data collection, processing and structure solution. Details are available at http://www.ccp4.ac.uk/schools/Japan-2018 , with more to follow.

Re: [ccp4bb] FW: [ccp4bb] Sulphate or phosphate?

[cid:a3a4faea-08e2-46af-88de-3bde456d9124@fed.cclrc.ac.uk] Sorry for spamming you all on this, but these images keep on getting stripped for Armin and myself. On 2 Aug 2018, at 16:51, Charles Ballard - UKRI STFC wrote: > Begin forwarded message (on behalf of Armin Wagner) > From:

[ccp4bb] Fwd: [ccp4bb] Sulphate or phosphate? (Armin's figures)

Begin forwarded message: [cid:image001.png@01D42A41.AE0B8B60] To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

[ccp4bb] FW: [ccp4bb] Sulphate or phosphate?

Begin forwarded message (on behalf of Armin Wagner) From: ahw78 mailto:armin.wag...@diamond.ac.uk>> Date: 2 August 2018 at 09:17:48 BST To: Eleanor Dodson mailto:eleanor.dod...@york.ac.uk>> Cc: ccp4bb mailto:ccp4bb@jiscmail.ac.uk>> Subject: Re: [ccp4bb] Sulphate or phosphate? Dear Eleanor, We can

[ccp4bb] CCP4 workshop at CSIR-IMTech, Chandigarh, 22-26 October 2018

Dear All I am pleased to announce a CCP4 Crystallography School and Workshop at CSIR-IMTech, Chandigarh, India running from October 22 to October 26. The course is intended mainly for graduate students and postdoctoral researchers in the area of structural biology. In some cases, assistant

[ccp4bb] update 057 RECOMMENDED

Dear All This is out, and contains a fix to the nasty truncate bug detailed earlier (hat tip to GPL), it is therefore recommended that this be applied. Also included are updates to * aimless * ccp4i2 * ccp4i * gesamt * mrbump * dials interface plus some workarounds for changes to web

[ccp4bb] update on nasty truncate bug

Dear All credit to the Global Phasing team who along with Phil Jeffrey spotted and supplied the fix for this nasty bug which was introduced in CCP4 7.0 update 039 (May 2017). I am sorry to say this is one of the occasions when CCP4s internal testing has fallen well sort, and I apologise

[ccp4bb] serious issue: truncate program

Dear All we discovered a serious bug in TRUNCATE that results in incorrect sets of amplitudes/sigmas. The problem was introduced at update 7.0.039. The effect is a complete lack of amplitudes with F/SIGF values within (roughly) the 10-20 range. It can easily be detected by plotting a histogram

Re: [ccp4bb] CCP4 release 7.0 update 056

for spotting this (3 hr and 37 minutes after announcement to report). Charles On 27 Apr 2018, at 11:57, Charles Ballard wrote: > Dear All > > the latest update is available > > * monomer library > - fixes for ASN, etc > > * dui (release under osx and linux, alpha under wi

[ccp4bb] CCP4 release 7.0 update 056

Dear All the latest update is available * monomer library - fixes for ASN, etc * dui (release under osx and linux, alpha under windows) - new interface for DIALS * DIALS - 1.9.2 * XIA2 - 0.5.542 * aimless - 0.7.1 * ccp4i2 - minor interface fixes * ccp4i - minor interface fixes * phaser -

Re: [ccp4bb] Coot 'Edit Chi Angles' on Mac misbehaving

Update 055 should have reverted out ASP, and update 056 (coming real soon now) should fix the other issues. Charles -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of "Weiergräber, Oliver H." Sent: 26 April 2018 15:06 To: ccp4bb

[ccp4bb] ccp4 release 7.0 update 053

Dear All a further update to the series 7.0 ccp4 release containing * refmac5 - bug fixes and speedup * crank2 - bug fixes * arcimboldo * morda * fragon (linux and osx) * buccaneer * nautilus * ccp4mg All the best Charles ps - next update to contain shelxe and a monomer library update

[ccp4bb] ccp4 7.0 update 51

Dear All just released is ccp4 7.0.051 containing * phaser 2.8.2 * dials 1.8.4 * ample 1.4.1 * simbad 0.10.1 (linux and osx) * arcimboldo Thanks to the authors of the software, and enjoy CCP4 Core team

[ccp4bb] UKSR50, 50 Years of UK Synchrotron Radiation meeting

Dear All Just a note that the deadline for Abstract Submission for UKSR50 is 31 January 50 Years of Synchrotron Radiation in the UK and its Global Impact 26-29 June 2018, University of Liverpool, UK www.UKSR50.org Charles On behalf of Sue Waller ASTeC Events Manager Science and Technology

Re: [ccp4bb] update ccp4 without network

Dear Wei there are details at http://www.ccp4.ac.uk/updates/ " The tarballs linked to this page are for use with CCP4 updater (ccp4um) in off-line mode (e.g. without network connection). You do not need them if your CCP4 update works normally through the internet. Follow instructions below

[ccp4bb] study weekend live stream

Dear All a little clunky, but here are the instructions. Streaming starts for the what's new at 9am GMT tomorrow Go to http://www.stfc.ac.uk/about-us/our-purpose-and-priorities/freedom-of-information/webinars/ And the select your device type. Charles

[ccp4bb] ccp4online webservices

Dear All just a heads up that these will be unavailable from 3pm GMT on Friday 15th until the following Monday as we go through fixed line testing on the electrics. Sorry for any inconvenience Charles

[ccp4bb] ccp4 release 7.0 update 047

Dear All update 047 is out and contains * mmdb2 - fix for false duplicate sequence number error in case of short residue names * panddas - version 2.11.0 * edstats - new version * ccp4i2 - updates to molrep interface * pointless - 1.115, bug fix for multi-lattice data * lorestr - fix to

[ccp4bb] CCP4 series 7.0 update 042

Dear All updates 042 has been release. This contains DIALS 1.6.0 (2017-06-02): • dials/xia2: dynamic masking of diamond anvil cells for DLS I19-2 high pressure experiments • JMP improvements to mosaic spread estimate (#342, #119) xia2 0.5.319: • xia2: new xia2.html

[ccp4bb] ccp4 7.0 update 041

Dear All update 041 contains * rdkit 2017_03_02 * acedrg - update for new rdkit * ccp4i2 - update for new rdkit and acedrg * ccp4mg - update for new rdkit * coot - update for new rdkit Next up dials 1.6.1 All the best CCP4 core team

[ccp4bb] DLS BAG training, 5th-6th July.

The Diamond Light Source Macromolecular Crystallography group would like to invite both our academic and industrial users to MX beamline training sessions on the 5th -6st July 2017. The aim is to provide MX users with sufficient training to be able to operate any of the Diamond MX beamlines

[ccp4bb] CCP4 7.0 update 040

Dear All, another update containing * ccp4mg/mrbump - improved sequence matching * molrep - packing function improvement * sfcheck - improved EM map handling * ssm/mmdb - fix for bug in forced element name correction * clipper - support for more non-standard spacegroup settings *

[ccp4bb] CCP4 release 7.0 update 39

Dear All a further update to release 7.0 * crank2 - update including bug fixes and prasa * monomers - various corrections * ccp4i2 - updates to crank2 interface, fix for lidia on linux, fix for missing ccp4mg images * acorn - fix for tolerance issues in cell check * sfcheck - cell

[ccp4bb] ccp4 release 7.0 update 037

Dear All new update containing * DIALS 1.5.1 * XIA2 0.5.277 All the best CCP4 Core team.

[ccp4bb] Structural Chemistry (Crystallography) position at UWA

Tenurable academic position (level B, C or D) at UWA in Structural Chemistry (single crystal X-ray diffraction) Closing date Weds 17th May We seek to appoint a high-calibre individual with an outstanding record, relative to opportunity, in the application of single crystal X-ray diffraction

[ccp4bb] Phasing and Model Building satellite meeting in Hyderbad

– Theory and performance. Model Building in low-resolution and cryo-EM maps; with Coot and Buccaneer and with Polder maps. Model Ligand-building with ARP/wARP. Extreme Molecular Replacement. Chairs: Charles Ballard (STFC Rutherford Appleton Lab, UK; e-mail: charles.ball...@stfc.ac.uk) Tom Terwilliger

[ccp4bb] CCP4 7.0 update 029

Dear All another update to the 7.0 series. This contains * pointless - Don't use alternative reindex operators which will fail cell tolerance test later. Make the just-reindex C2->I2 conversion more robust. * pisa - Fixed a bug, which could cause disulphide bonds missing in PISA analysis

[ccp4bb] CCP4 study weekend 2017 talks

Dear All for those of you who could not watch the live stream, Stuart and Laura have got the sessions up on https://sas.stfc.ac.uk/vportal/index.jsp Under "CCP4 Study Weekend 2017" Best wishes Charles

[ccp4bb] CCP4 Study Weekend Link for CCP4 Stream

Dear All Here is the link for CCP4 Study Weekend https://sas.stfc.ac.uk/vportal/VideoPlayer.jsp?ccsid=C-5d13ead9-b217-4b5b-bceb-bb37e04bbefe:4# Charles

[ccp4bb] CCP4 update 026

Dear All contains updates to coot for linux 32/64-bit and OS X. This re-corrects the auto-mutate problem on OS X, and various segv such as when using coot-mini-rsr. Hopefully we now have a functional coot. Thank you for bearing with us Charles on behalf of the CCP4 core team.

[ccp4bb] update 024

Dear All hopefully this fixes the coot-0.8.7 issue on OS X and linux. In this update * coot - new libcoot-coord-extra to address auto-mutate issue * crank2 - update to 2.0.132 * ccp4i2 - gesamt chain selection - crank2 * pointless - 1.10.28, fix for NaN with some

Re: [ccp4bb] ccp4 release 7.0 update 023

e else encountered this > problem? > Regards. > Wolfram > > > On Wed, Nov 23, 2016 at 9:41 AM, Charles Ballard <charles.ball...@stfc.ac.uk> > wrote: > Dear All > > ccp4 update 23 has just been released. It contains > > * coot: > - update to coot 0.

Re: [ccp4bb] ccp4 release 7.0 update 023

) is printed to the terminal, followed by a line confirming on > which atom I have clicked, but the residue type selection dialog does not > appear. Coot just hangs at this point. Has anyone else encountered this > problem? > Regards. > Wolfram > > > On Wed, Nov 23, 2016 at 9:

[ccp4bb] ccp4 release 7.0 update 023

fix: phaser, updated defaults for phaser tasks - bug fix: mrbump, updated defaults for phaser All the best Charles Ballard on behalf of CCP4 core team

[ccp4bb] CCP4/SPring-8 workshop

Dear All just a reminder that there will be a CCP4 workshop at SPring-8, Japan, from 23-27 January next year. The workshop will cover the structure solution process, consisting of lectures, tutorials and problem solving sessions. Lectures include Garib Murshudov on refinement, Phil Evans on

[ccp4bb] CCP4-6.5 Update 013

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes programs: * seqwt - sequence length limit increase * zanuda - update * pointless - update to 1.9.33 * amiless - update to 0.5.12 libraries: * clipper - correction to setting of NaN

[ccp4bb] Third CCP4-OIST workshop in Okinawa, third call

/OIST-2015 Fees: There is no fee for the workshop. The students will be responsible for their transportation costs outside Okinawa. Lodging will be provided at the OIST Guest House Seaside House. The workshop will also cover the expenses for all meals and refreshments. Fadel Samatay, Charles

[ccp4bb] CCP4-6.5 Update 010

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * refmac5 (all platforms) - various bug fixes and new program header2matr * prosmart (all) - fixed issue with degenerate PDB files * pointless (all) - 1.9.31, allow real-space

[ccp4bb] Third CCP4-OIST workshop in Okinawa, second call

: There is no fee for the workshop. The students will be responsible for their transportation costs outside Okinawa. Lodging will be provided at the OIST Guest House Seaside House. The workshop will also cover the expenses for all meals and refreshments. Fadel Samatay, Charles Ballard

[ccp4bb] CCP4-6.5 Update 009

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * ARP/wARP (all platforms excluding windows) - activation of postinstall script for standalone arp/warp * crank2 (all platforms) - several bugfixes - javascript output * jsrview

[ccp4bb] CCP4-6.5 Update 008

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * ARP/wARP (all platforms excluding windows) - Solvent search run from ccp4i - The length of the file names in ligand search - Selection of MTZ column labels for protein model

[ccp4bb] CCP4-6.5 Update 006

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * ccp4-progs - rwcontents: support for strict NCS records, via pdb header/fix * blend - update to 0.6.3 * ccp4mg - addition of pdbview (except windows) * pointless - Bug fixes -

Re: [ccp4bb] CCP4-6.5 Update 007

Dear All for the record, this is, of course, Update 006 Charles On 14 Mar 2015, at 10:51, Charles Ballard wrote: Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * ccp4-progs - areaimol - bug fixes - r500 - update

[ccp4bb] Third CCP4-OIST workshop in Okinawa

will be responsible for their transportation costs outside Okinawa. Lodging will be provided at the OIST Guest House Seaside House. The workshop will also cover the expenses for all meals and refreshments. Fadel Samatay, Charles Ballard

[ccp4bb] CCP4-6.5 Update 006

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * ccp4-progs - areaimol - bug fixes - r500 - update= - standard_geometry.cif - update * imosflm/mosflm - update to 7.1.3 * Molrep - fix for bug in multi-copy search * aimless - 0.5.7,

[ccp4bb] Fwd: CCP4-6.5 Update 005

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * ccp4mg (all platforms) - update to 2.10.4. - improved SMILES parser. - Get monomer from library correctly bonds H atoms. - Badly-named ligands no longer generate bad bonding schemes. -

[ccp4bb] ccp4 offline updates

Dear All update 004 included a new updater for use with off line updates. This updater is available stand alone from http://www.ccp4.ac.uk/updates/, just follow the instructions. Please report any bugs to c...@stfc.ac.uk. Many thanks for using CCP4. The CCP4 Core Team

[ccp4bb] CCP4-6.5 Update 004

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * ccp4 updater (all platforms) - allows for offline updates - details at http://www.ccp4.ac.uk/updates * pointless (all) - update to 1.9.27 - update for processing XDS INTEGRATE files

[ccp4bb] CCP4-6.5 Update 003

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * refmac (all) - bug fix for occupancy refinement * imosflm/mosflm - update to 7.1.2 - bug fix update * pointless (all platforms) - update to 1.9.25 - Some fixes for Saint

[ccp4bb] CCP4-6.5 Update 002

Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * crank2 (all) - Several bug fixes, mainly related to the graphical interface and Crunch2/fix * clipper-progs (all) - ctruncate: fix to issue with estimation of alpha in

[ccp4bb] CCP4 Study Weekend 2015

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 this year's Study Weekend at the the East

[ccp4bb] CCP4 structure solution workshop at the Photon Factory - deadline 13th September

for their transportation and accommodation costs. A limited number of places will be available in the KEK dormitory on a first come basis. Naohiro Matsugaki, Charles Ballard -- Scanned by iCritical.

[ccp4bb] CCP4-6.4.0 Update 021

Dear CCP4 Users An update for the CCP4-6.4.0 series has just been released, consisting of the following changes • monomer library: – corrected or added several entries • ctruncate: – update to 1.15.10 – correction for flat prior issue introduced in 1.15.6 • aimless: – update to

[ccp4bb] 3rd call, CCP4 structure solution workshop at the Photon Factory

in the KEK dormitory on a first come basis. Naohiro Matsugaki, Charles Ballard -- Scanned by iCritical.

[ccp4bb] 2nd call, CCP4 structure solution workshop at the Photon Factory

in the KEK dormitory on a first come basis. Naohiro Matsugaki, Charles Ballard -- Scanned by iCritical.

[ccp4bb] CCP4-6.4.0 Update 019

Dear CCP4 Users An update for the CCP4-6.4.0 series has just been released, consisting of the following changes • ctruncate (all platforms): – 1.15.5, fix to increase stability of normal calculation • prodrg (all): – updated parameter file • mrbump (all): – rebuild options including use of

[ccp4bb] CCP4 structure solution workshop at the Photon Factory

in the KEK dormitory on a first come basis. Naohiro Matsugaki, Charles Ballard -- Scanned by iCritical.

[ccp4bb] CCP4-6.4.0 Update 016

Dear CCP4 users, An update for the CCP4-6.4.0 series has just been released, consisting of the following changes: * prelyscar: New program, predictor of lysine caboxylation * CCP4i: prelyscar, new interface * pdb2to3: fixed for new ccp4srs * rapper: downgrade optimisation to workaround segv on

[ccp4bb] CCP4-6.4.0 Update 014

Dear CCP4 Users An update for the CCP4-6.4.0 series has just been released, consisting of the following changes * refmac5: 5.8.0071, fix for peptide planarity * buccaneer: version 1.6 with new MR modes and user interface * pointless: version 1.9.8, fixes for multilattice and output in qtrview *

[ccp4bb] CCP4-6.4.0 Update 013

Dear CCP4 Users An update for the CCP4-6.4.0 series has just been released, consisting of the following changes * qtpisa and pisa - New features + concentration dependence of predicted oligomeric states to aid the identification of biological units in protein's working conditions +

[ccp4bb] CCP4-6.4.0 Update 012

Dear CCP4 Users An update for the CCP4-6.4.0 series has just been released, consisting of the following changes * crank2 - New SAD phasing pipeline * monomer library - Corrections to OXY, PO4 and URE * imosflm - Update to version 7.1.1 Note that auto-updates work only with CCP4 6.4.0

[ccp4bb] CCP4-6.4.0 Update 011

Dear CCP4 Users, An update for the CCP4-6.4.0 series has just been released, consisting of the following changes ◆ ipmosflm(windows) - update to 7.1.0 ◆ imosflm(all platforms) - fix for MOSFLM_EXEC not being set under csh - fix for false missing ipmosflm error Note that auto-updates work only

[ccp4bb] CCP4-6.4.0 Update 010

Dear CCP4 Users, An update for the CCP4-6.4.0 series has just been released, consisting of the following changes ◆ ARP/wARP (Mac, Linux) 1. Fix in the use of free R flag in the ARP/wARP CCP4i interface for solvent building 2. Fix in the identification of non-crystallographic symmetry that in

Re: [ccp4bb] CCP4-6.4.0 Update 010

this update until we get the next update out. csh shell users should temporarily add MOSFLM_EXEC ipmosflm to their environments. Charles On 7 Mar 2014, at 11:10, Charles Ballard wrote: Dear CCP4 Users, An update for the CCP4-6.4.0 series has just been released, consisting of the following

[ccp4bb] CCP4-6.4.0 Update 008

Dear CCP4 Users, An update for the CCP4-6.4.0 series has just been released, consisting of the following changes: * phaser * update to 2.5.6 * ccp4i * phaser_EP: corrected HySS output parsing Note that auto-updates work only with CCP4 6.4.0 series, therefore please upgrade

[ccp4bb] CCP4 Study Weekend Live Stream

Dear All the live stream of the CCP4 Study Weekend 2014 at Nottingham University on Complimentary Methods - a two way street should be available on 4-5 January at the following web address http://www.stfc.ac.uk/webinars Charles Ballard CCP4 ps - link also available through our home page

Re: [ccp4bb] CPRODRG segfault on Mac OS X 10.9,

Dear All as Eugene says this will go into an update, but until then there is a probable fixed binary at ftp://ftp.ccp4.ac.uk/ccp4/6.4.0/updates/osx/cprodrg Charles Ballard On 25 Nov 2013, at 14:03, Eugene Krissinel wrote: Dear All, CCP4 Core Group is aware of the issue and is looking

Re: [ccp4bb] Error with iMosflm 1.0.7 of CCP4 6.4.0 kit

Dear All the soon to be released update (via the update mechanism) will address this by applying the patch to imosflm.tcl. Charles Ballard CCP4 On 23 Oct 2013, at 23:35, Andreas Förster wrote: Hi David, I've just renamed the ipmosflm in $CCP4/bin to ipmosflm_new and then defined

Re: [ccp4bb] ctruncate bug?

To add to the discussion a plot of the acentric KW from -10 to 10 (normalised wrt sqrt(sigma) ). ftp://ftp.ccp4.ac.uk/ccb/aZF2.pdf, black dots are F/sqrt(sigma) while blue is corresponding plot for sigma The value drops from 0.42 to 0.28 going from h = -4 to h = -10. Note: for this we are

[ccp4bb] The Second CCP4/OIST School on computational macromolecular crystallography

outside Okinawa. Lodging will be provided at the OIST Guest House Seaside House. The workshop will also cover the expenses for all meals and refreshments. Fadel Samatay, Charles Ballard, Matthais Wolf -- Scanned by iCritical.

[ccp4bb] archive of talks from 2013 study weekend

. The sessions will be accessible for about 1 week before we remove them. Charles Ballard CCP4 ps - for none windows users VLC will work as per the last e-mail I sent -- Scanned by iCritical.

[ccp4bb] streaming of the 2013 CCP3 Study Weekend

to shut down the media player (Windows/VLC) at the end of the session and start the process again. If you just refresh the webpage with the media player still open it may be looking for a previous session and show errors. Charles Ballard CCP4 -- Scanned by iCritical.

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

To add to the general list (and future class action). I have just had the battery expansion on one for the second time. Added to the number of them I have bricked by letting the charge run down to low by unplugging them. Interestingly apple agreed to replace the bricked batteries free of

[ccp4bb] CCP4 Study Weekend, early bird deadline

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

[ccp4bb] CCP4 update 007

Dear CCP4 Users, A CCP4 update has just been released, consisting of the following changes: * PHASER: update to 2.5.2 * ctruncate: correction to twinning tests for H3 * DiffractionImage: further corrections to displaying of pilatus mini-cbf (Linux and Mac) * ccp4i: New

[ccp4bb] Postdoctoral Fellow - University of Oklahoma

Postdoctoral Fellow – Protein CrystallographyUniversity of Oklahoma Health Sciences Center, USAA postdoctoral position is available immediately in the laboratory of Dr. Marie Hanigan for a highly motivated, creative individual with strong interest in the structure and function of enzymes relevant

[ccp4bb] CCP4 Study Weekend 2012

The CCP4 Study Weekend (3 - 5 January 2013) East Midlands Conference Centre, University of Nottingham Thursday 3 - MX User Meeting Friday 4 / Saturday 5 - CCP4 Study Weekend Molecular Replacements We cordially invite you to participate in this year's Study Weekend at the the East Midlands

[ccp4bb] CCP4 Fukuoka workshop 29 Oct - 2 Nov 2012

at http://www.ccp4.ac.uk/schools/Japan-2012/ Fees: There is no fee for the workshop, but students are responsible for their travel and accommodation costs. Charles Ballard, Daisuke Kohda, Garib Murshudov -- Scanned by iCritical.

Re: [ccp4bb] ctruncate and anistropy correction

Hi Frank this means that the anisotropy corrected data is used to calculate the twinning statistics, moments etc. The corrected data is not used in the truncate procedure. Charles On 1 May 2012, at 19:28, Frank von Delft wrote: Hello, a colleague just pointed me to an innocuous sentence in

[ccp4bb] Postdoc position in structural biology

Posted on behalf of Sylvie Nessler (CNRS): Postdoctoral Fellowship in Structural Biology: Bacterial tyrosine kinases and signalisation networks. A post-doctoral position is available for highly motivated candidates to join the research group of Prof. Sylvie Nessler at University Paris-sud 11.

[ccp4bb] postdoctoral position in structural biology and epigenetics

A post-doctoral position is available for highly motivated candidates to join a research group interested in investigating molecular mechanisms underlying epigenetic regulation and inheritance, and the broad area of chromatin biology. Projects will involve structure determination of

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