Re: [COOT] CCP4 6.3.0 released

2012-07-17 Thread Felix Frolow
Thank you Tony,
Yes, I just send it into /tmp/root, I install under root account
I am sure all can be fixed. I will wait for fink version if it will be one… :-\

FF
Dr Felix Frolow   
Professor of Structural Biology and Biotechnology, Department of Molecular 
Microbiology and Biotechnology
Tel Aviv University 69978, Israel

Acta Crystallographica F, co-editor

e-mail: mbfro...@post.tau.ac.il
Tel:  ++972-3640-8723
Fax: ++972-3640-9407
Cellular: 0547 459 608

On Jul 17, 2012, at 16:18 , Antony Oliver wrote:

 Felix, did you define a suitable temp directory during the configure stage 
 of the installation?
 I had to change this to get the installation to work ( just ~/Documents/ in 
 my case) – which it did on OSX Lion and Snow Leopard based machines.
 
 Tony.
 
 (Also I had to run it directly from the mounted volume, rather than copy it 
 to /Applications).
 
 
 ---
 Dr Antony W Oliver
 
 Senior Research Fellow
 CR-UK DNA Repair Enzymes Group
 Genome Damage and Stability Centre
 Science Park Road
 University of Sussex
 Falmer, Brighton, BN1 9RQ
 
 email: antony.oli...@sussex.ac.uk
 tel (office): +44 (0)1273 678349
 tel (lab): +44 (0)1273 677512
 
 
 From: Felix Frolow mbfro...@post.tau.ac.il
 Reply-To: Felix Frolow mbfro...@post.tau.ac.il
 Date: Tue, 17 Jul 2012 15:55:55 +0300
 To: COOT@JISCMAIL.AC.UK
 Subject: Re: CCP4 6.3.0 released
 
 I made an attempt to install ccp46.3.0 on MacOSX using Setup.app
 No unexpectedly I have got:
 
 Ready to install 
 Selected package: Mac OSX
 
 ===
 Remove /Applications/ccp4-6.3.0
 Remove /Applications/arp_warp_7.3
 ---
 Decompressing CCP4 Program Suite v6.3.0, please wait ...
 Installing CCP4 Program Suite v6.3.0
 Traceback (most recent call last):
   File /private/tmp/root/unpack.py, line 80, in module
 mpkg = [i for i in os.listdir(dmgdir) if (.mpkg in i) or (.pkg in i)]
 OSError
 : [Errno 2] No such file or directory: '1'
 
 :-\
 
 The other way, just using installers does not find proper tmp directory or 
 sort……
 Back to 6.2.0
 FF
 
 
 Dr Felix Frolow   
 Professor of Structural Biology and Biotechnology, Department of Molecular 
 Microbiology and Biotechnology
 Tel Aviv University 69978, Israel
 
 Acta Crystallographica F, co-editor
 
 e-mail: mbfro...@post.tau.ac.il
 Tel:  ++972-3640-8723
 Fax: ++972-3640-9407
 Cellular: 0547 459 608
 
 On Jul 16, 2012, at 20:51 , ronan.kee...@stfc.ac.uk wrote:
 
 Dear All,
 
 
 We're very pleased to announce the release of the latest version of the CCP4 
 Software Suite. Version 6.3.0 (Settle) is now available from the CCP4 
 download website:
 
 http://www.ccp4.ac.uk/download.php
 
 The release is available for Linux, Mac OSX and Windows platforms, and 
 delivers a number of new programs, updates and features:
 
 
 1. New Components and Updates:
 
 New:
 Aimless(Scaling and Merging, replacement for Scala)
 Prosmart   (Generation of external restraints for Refmac)
 Nautilus   (Automatic building of RNA/DNA)
 Ample  (Automatic Ab initio modelling for Molecular Replacement)
 Dimple (Automatic difference map calculation)
 Zanuda (Space group checker/validator)
 CMapCut(Preparation of electron-density search model for MR)
 Comit  (Composite omit maps)
 Gesamt (Structure aligner not using secondary structure assignments)
 ViewHKL(Graphical viewer for reflection data)
 
 Updated:
 Mosflm  v7.0.9 (Data processing/reduction)  iMosflm v1.0.7 (Mosflm GUI)  
 Pointless v1.6 (Laue group determination)
 Refmac v5.7(Macromolecular refinement)
 Phaser v2.5.1  (Molecular Replacement and Experimental Phasing)
 MrBump (Automatic Molecular Replacement, now includes 
 phaser.sculptor models)
 Xia2   (Automated data reduction)
 CCP4mg v2.6.2  (CCP4 Molecular Graphics, much improved on features and 
 stability)
 
 CCP4 Graphical User Interface:
 - new automation module
 - provides interfaces for new and updated modules
 - ViewHKL option for viewing reflection (mtz) files
 
 More information on updates is available from:
 
 http://www.ccp4.ac.uk/html/CHANGESinV6_3.html
 
 
 
 2. ARP/wARP co-distribution
 
 Release 6.3.0 marks a milestone in collaboration between CCP4 and ARP/wARP 
 teams by releasing ARP/wARP Model Building software v7.3 jointly with CCP4 
 Software Suite. In order to get ARP/wARP Software, academic users need only 
 to select the appropriate package from download pages or with our new 
 Package Manager, and type in their name and e-mail address where required. 
 Commerical users will be required also to provide their reference number, 
 obtainable separately from EMBL-EM.
 
 ARP/wARP 7.3 includes the following major updates and changes (on behalf of 
 Victor Lamzin):
 
 - The protocols for the use of NCS in protein chain tracing have
  been improved and expanded to a wider range of resolutions.
 - Common ligands can now be 

Re: [COOT] CCP4 6.3.0 released

2012-07-17 Thread William G. Scott
On Jul 17, 2012, at 6:25 AM, Felix Frolow wrote:

  I will wait for fink version if it will be one… :-\

Does anyone use or want this anymore?

-- Bill


William G. Scott
Professor
Department of Chemistry and Biochemistry
and The Center for the Molecular Biology of RNA
228 Sinsheimer Laboratories
University of California at Santa Cruz
Santa Cruz, California 95064
USA

phone:  +1-831-459-5367 (office)
 +1-831-459-5292 (lab)
fax:+1-831-4593139  (fax) 
email:wgsc...@ucsc.edu


Re: [COOT] CCP4 6.3.0 released

2012-07-17 Thread jbosch
Bill I insist, I'm completely finked.
And if you can have a 10.8 pre-release that would be great too.

Jürgen

On Jul 17, 2012, at 5:34 PM, William G. Scott wrote:

 On Jul 17, 2012, at 6:25 AM, Felix Frolow wrote:
 
 I will wait for fink version if it will be one… :-\
 
 Does anyone use or want this anymore?
 
 -- Bill
 
 
 William G. Scott
 Professor
 Department of Chemistry and Biochemistry
 and The Center for the Molecular Biology of RNA
 228 Sinsheimer Laboratories
 University of California at Santa Cruz
 Santa Cruz, California 95064
 USA
 
 phone:  +1-831-459-5367 (office)
 +1-831-459-5292 (lab)
 fax:+1-831-4593139  (fax) 
 email:wgsc...@ucsc.edu


Re: [COOT] CCP4 6.3.0 released

2012-07-17 Thread William G. Scott
I don't, but I will try to get it done by the time 10.8 is released, if not 
sooner.

Bill


William G. Scott
Professor
Department of Chemistry and Biochemistry
and The Center for the Molecular Biology of RNA
228 Sinsheimer Laboratories
University of California at Santa Cruz
Santa Cruz, California 95064
USA

phone:  +1-831-459-5367 (office)
 +1-831-459-5292 (lab)
fax:+1-831-4593139  (fax) 
email:wgsc...@ucsc.edu

On Jul 17, 2012, at 2:53 PM, jbosch wrote:

 Bill I insist, I'm completely finked.
 And if you can have a 10.8 pre-release that would be great too.
 
 Jürgen
 
 On Jul 17, 2012, at 5:34 PM, William G. Scott wrote:
 
 On Jul 17, 2012, at 6:25 AM, Felix Frolow wrote:
 
 I will wait for fink version if it will be one… :-\
 
 Does anyone use or want this anymore?
 
 -- Bill
 
 
 William G. Scott
 Professor
 Department of Chemistry and Biochemistry
 and The Center for the Molecular Biology of RNA
 228 Sinsheimer Laboratories
 University of California at Santa Cruz
 Santa Cruz, California 95064
 USA
 
 phone:  +1-831-459-5367 (office)
+1-831-459-5292 (lab)
 fax:+1-831-4593139  (fax) 
 email:wgsc...@ucsc.edu
 


[COOT] CCP4 6.3.0 released

2012-07-16 Thread ronan . keegan
Dear All,


We're very pleased to announce the release of the latest version of the CCP4 
Software Suite. Version 6.3.0 (Settle) is now available from the CCP4 download 
website:

http://www.ccp4.ac.uk/download.php

The release is available for Linux, Mac OSX and Windows platforms, and delivers 
a number of new programs, updates and features:


1. New Components and Updates:

New:
 Aimless(Scaling and Merging, replacement for Scala)
 Prosmart   (Generation of external restraints for Refmac)
 Nautilus   (Automatic building of RNA/DNA)
 Ample  (Automatic Ab initio modelling for Molecular Replacement)
 Dimple (Automatic difference map calculation)
 Zanuda (Space group checker/validator)
 CMapCut(Preparation of electron-density search model for MR)
 Comit  (Composite omit maps)
 Gesamt (Structure aligner not using secondary structure assignments)
 ViewHKL(Graphical viewer for reflection data)

Updated:
 Mosflm  v7.0.9 (Data processing/reduction)  iMosflm v1.0.7 (Mosflm GUI)  
Pointless v1.6 (Laue group determination)
 Refmac v5.7(Macromolecular refinement)
 Phaser v2.5.1  (Molecular Replacement and Experimental Phasing)
 MrBump (Automatic Molecular Replacement, now includes phaser.sculptor 
models)
 Xia2   (Automated data reduction)
 CCP4mg v2.6.2  (CCP4 Molecular Graphics, much improved on features and 
stability)

CCP4 Graphical User Interface:
- new automation module
- provides interfaces for new and updated modules
- ViewHKL option for viewing reflection (mtz) files

More information on updates is available from:

http://www.ccp4.ac.uk/html/CHANGESinV6_3.html



2. ARP/wARP co-distribution

Release 6.3.0 marks a milestone in collaboration between CCP4 and ARP/wARP 
teams by releasing ARP/wARP Model Building software v7.3 jointly with CCP4 
Software Suite. In order to get ARP/wARP Software, academic users need only to 
select the appropriate package from download pages or with our new Package 
Manager, and type in their name and e-mail address where required. Commerical 
users will be required also to provide their reference number, obtainable 
separately from EMBL-EM.

ARP/wARP 7.3 includes the following major updates and changes (on behalf of 
Victor Lamzin):

- The protocols for the use of NCS in protein chain tracing have
  been improved and expanded to a wider range of resolutions.
- Common ligands can now be automatically identified and fit into
  a specified electron density.
- The algorithm for modelling partial ligands (cocktail screening)
  has been replaced with a new one that applies a number of
  sophisticated numerical features
- The ARP/wARP graphics front-end, ArpNavigator, automatically
  assigns secondary structure and has an improved visual presentation
  of a static model or real time protein or ligand building.
- Supported computer platforms are Mac powerpc, Mac Intel and Linux
  (including 32 and 64-bit versions).
- The ARP/wARP installer has been considerably updated on all platforms.
- Joint software release and authentication with the CCP4 is now
  possible.
- CCP4 6.3.0 and Refmac 5.7.0029 are the recommended versions to
  use with ARP/wARP 7.3.


3. 64-bit precompiled packages

Starting with version 6.3.0, CCP4 distributes both 32-bit and 64-bit 
precompiled binaries for Linux. Note that 64-bit codes will not run on 32-bit 
architectures, and 32-bit codes will run on 64-bit setups only if 32-bit 
libraries are installed (not a default for most Linuxes).

THEREFORE: PLEASE MAKE SURE THAT YOU HAVE SET THE 32-bit/64-bit SWITCH ON TOP 
OF THE DOWNLOAD PAGES CORRECTLY BEFORE ALL!


4. Friendly Coot and CCP4mg distributions

Coot is known to be less portable than the rest of CCP4 Program Suite. CCP4mg 
is more portable and requires special builds only for older Linuxes. Our new 
Package Manager will try to automatically choose Coot and CCP4mg bundles that 
are most appropriate for your system. In addition, our new download pages will 
offer you a range of precompiled Coot and CCP4mg packages, from where you may 
choose ones that work for you.


5. New distribution mechanism

We hope that you will find our new Download Pages more intuitive and convenient 
than before. We have worked hard to improve our Windows installer, to make it 
working faster and smoother. On Linux and Mac platforms, we recommend using 
Package Manager, a small graphical application that allows you to select the 
desired components, and automatically download and install them on your system. 
Note that Package Manager features resumable downloads, which may be useful for 
users with slow or less reliable Internet connection.



We would like to thank all of the developers who have contributed into CCP4 
6.3.0, and all of those who have helped in testing it. The following 
publication should be used to cite the use of CCP4:


M. D. Winn, C. C. Ballard, K. D. Cowtan, E. J. Dodson, P. Emsley, P. R. Evans, 
R. M. Keegan, E. B.