[ccp4bb] ccp4 release 7.0 update 063

2018-09-25 Thread Ballard, Charles (STFC,RAL,CSE)
Dear All

update 063 is available containing

* ccp4i2
- integration of dials gui, lattice viewer, and molprobity validation

* dials gui
- updates for dials 1.10

* aimless
- update to 0.7.3

* dimple
- various bug fixes

* crank2
- 

* morda
- update to v24

Next update DIALS.

Charles

on behalf of the CCP4 core team and developers



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[ccp4bb] CCP4/SPring-8 workshop 1-6 October 2018

2018-07-06 Thread Ballard, Charles (STFC,RAL,CSE)
Dear All

I am pleased to announce 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.  Registration 
is on the same site.  Registration will
close on 24 August.

Topics will include XDS (Kay Diederichs), DIALS (Graeme Winter), the CCP4 suite 
(myself and others),
 PDB_REDO (Robbie Joosten), COOT and others. The format will cover data 
collection, lectures, tutorials and 
problem solving, so students are encourages to bring their own data to work on.

Charles and Kunio.



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[ccp4bb] Last few months updates, updated coot, ccp4i2, imosflm, etc

2018-07-05 Thread Ballard, Charles (STFC,RAL,CSE)
For those of you not applying updates, the last few months updates have included

* phaser 2.8
* ccp4i2 
* dials 1.9 (1.10 coming soon)
* ccp4mg
* coot 0.8.9.1 
 * imosflm/ipmosfm 7.2.2

plus interfaces to simbad, ample arcimboldo, and a dials gui DUI
Update ID: 7.0.050
Date: 17.01.18

Component   Description Mac OS 64-bit   Linux 32-bitLinux 64-bit
Windows 32-bit  Windows 64-bit
coot0.8.9   yes yes yes -   -
aimless 0.6.2   yes yes yes yes yes

Update ID: 7.0.051
Date: 09.02.18

Component   Description Mac OS 64-bit   Linux 32-bitLinux 64-bit
Windows 32-bit  Windows 64-bit
phaser  2.8.2   yes yes yes yes yes
ccp4i   updates for phaser 2.8  yes yes yes yes yes
arcimboldo  updates for phaser 2.8  yes yes yes yes yes
ample   update to 1.4.1 yes yes yes yes yes
simbad  update to 0.1.10yes yes yes -   -
dials   update to 1.8.4 yes yes yes yes yes
ccp4i   update for ampleyes yes yes yes yes
Update ID: 7.0.052
Date: 28.02.18

Component   Description Mac OS 64-bit   Linux 32-bitLinux 64-bit
Windows 32-bit  Windows 64-bit
ccp4i2  Numerous bug fixes, improvments to stability, speed and efficiency  
yes yes yes yes yes
New: Arcimboldo yes yes yes -   -
New: Simbad yes yes yes -   -
New: Ample  yes yes yes yes yes
Enhancements to existing interfaces yes yes yes yes yes
New crystal definition and interface introduced yes yes yes yes 
yes
Update ID: 7.0.053
Date: 19.03.18

Component   Description Mac OS 64-bit   Linux 32-bitLinux 64-bit
Windows 32-bit  Windows 64-bit
ccp4mg  fix issues with some refmac output  yes yes yes yes 
yes
pointless   update to 1.11.10, read nXDS files  yes yes yes 
yes yes
buccaneer   Bug fixes   yes yes yes yes yes
refmac  Bug fixes and speed enhancementsyes yes yes yes 
yes
crank2  Bug fixes and enhancements  yes yes yes yes yes
arcimboldo  Bug fixes   yes yes yes yes yes
molrep  Bug fiesyes yes yes yes yes
fragon  0.1.0, MR pipeline  yes yes yes -   -
acedrg  New features and bug fixes  yes yes yes yes yes
rabdam  radition damage detection, command line onlyyes yes yes 
yes yes
clipper bug fix in mtz writing routine  yes yes yes yes yes
morda   database update 21  yes yes yes yes yes
Update ID: 7.0.054
Date: 29.03.18

Component   Description Mac OS 64-bit   Linux 32-bitLinux 64-bit
Windows 32-bit  Windows 64-bit
shelxe  bug fixes   yes yes yes yes yes
correction to shelxe NCS code   yes yes yes yes yes
monomersadditional ligands  yes yes yes yes yes
simbad  lattice and contaminant search  -   -   -   yes yes
ccp4i2  new auspex interfaceyes yes yes yes yes
new simbad interface-   -   -   yes yes
updated refmac interfaceyes yes yes yes yes
updated lorestr interface   yes yes yes yes yes
updates arpwarp interface   yes yes yes -   -
mosflm  ipmosflm 7.2.2  yes yes yes yes yes
imosflm 7.2.2   yes yes yes yes yes
arcimboldo  update for new shelxe   yes yes yes -   -
refmac  fixed output coordinates in mmcif file  yes yes yes yes 
yes
Update ID: 7.0.055
Date: 16.04.18

Component   Description Mac OS 64-bit   Linux 32-bitLinux 64-bit
Windows 32-bit  Windows 64-bit
coot0.8.9.1 yes yes yes -   -
xssp3.0.0   yes yes yes yes yes
rabdam  Bug fixes   yes yes yes yes yes
srs synchronise to monomer library  yes yes yes yes yes
ccp4i2  workaround for batch file launch issues -   -   -   yes 
yes

Update ID: 7.0.056
Date: 27.04.18

Component   Description Mac OS 64-bit   Linux 32-bitLinux 64-bit
Windows 32-bit  Windows 64-bit
monomerscorrections for ASN etc yes yes yes yes yes
dui New interface for DIALS yes yes yes yes yes
cctbx   Update to 2018 January  yes yes yes yes yes
phaser  Update to 2.8.2 yes yes yes yes yes
dials   Update to 1.9.2 yes yes yes yes yes
xia2Update to 0.5.542   yes yes yes yes yes
aimless Update to 0.7.1 yes yes yes yes yes
ccp4i   correction to phaser atom search interface  yes yes yes 
yes yes
imosflm correction to running of pointless and aimless  -  

[ccp4bb] CCP4 release 7.0 update 059

2018-07-05 Thread Ballard, Charles (STFC,RAL,CSE)
Dear All

update 059 contains

* fix for ccp4i2 issue when running xia2 from interface
* workaround for phaser FPE issues on OSX
* updated crank2

Current plans for future updates are

060 
* aimless, pointless, rabdam, fragon, molrep 

061
* update to xia2 and dials


All the best

Charles on behalf of core team



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