Re: [ccp4bb] I/sigma for h+k=2n+1 and h+k=2n

2011-07-27 Thread ccp4
From memory - check the documentation

mtzutils hklin1 data.mtz
RZONE 1 1 0   2 0   lists reflections with h+k = 2n
END

mtzutils hklin1 data.mtz
RZONE 1 1 0   2 1   lists reflections with h+k = 2n+1
END

Eleanor


This will list all On Tue, 26 Jul 2011 09:51:47 -0400, zhang yu
ccp4f...@gmail.com wrote:
 Hi,
 
 I had a dataset which is P21 but with a pseudo-translational symmetry of
 (1/2, 1/2 ,0). Theoretically the dataset should show systematic weak
spots
 of h+K= 2n+1 compared to h+k= 2n. Is that correct?
 
 I would like to have a close look at the reflections. for example, the
 average I/sigma for reflections with h+k=2n+1 and reflections with
h+k=2n.
 Which software could do this job?  A brief tutorial is appreciated.
 
 Yu


[ccp4bb] International Conference Multi-Pole Approach to Structural Biology

2011-07-27 Thread Marcin Nowotny
Dear Colleagues,



We are pleased to announce the call for abstracts (posters  talks) for:



International Conference

Multi-Pole Approach to Structural Biology

  November 16-19, 2011 | Warsaw, Poland



The submission deadline for abstracts, to be considered for a talk, is August 
31, 2011



Early registration deadline is also August 31, 2011:

regular fee: 500 PLN = 125 Euro

student fee: 300 PLN =  75 Euro



Please see our website for details  programme:

http://iimcb.genesilico.pl/multipole/



The purpose of the conference is to present and discuss the advances of 
structural biology. 35 invited lectures will be delivered by accomplished 
scholars with significant links to Poland, who have had successful scientific 
careers around the world, working in a general field of structural biology, 
including biocrystallography and structural bioinformatics.



Confirmed speakers include:

Alex Wlodawer, Jacek Lubkowski, Krzysztof Appelt, Grzegorz Bujacz, Piotr 
Zielenkiewicz, Lukasz Lebioda, Marek Brzozowski, Mariusz Jaskolski, Andrzej 
Joachimiak, Zygmunt Derewenda, Pawel Grochulski, Mirek Cygler, Krzysztof 
Lewinski, Wladek Minor, Krzysztof Fidelis, Andrzej Kolinski, Adam Liwo, Andrzej 
Kloczkowski, Krzysztof Ginalski, Jarek Meller, Roman Laskowski, Witek 
Filipowicz, Marcin Nowotny, Matthias Bochtler, Zbyszek Dauter, Teresa 
Przytycka, Jacek Blazewicz, Janusz Bujnicki, Krzysztof Wozniak, Andrzej 
Sokalski, Bogdan Lesyng, Wieslaw Nowak, Marek Cieplak, Zbyszek Otwinowski, and 
Adam Godzik.



Additional talks will be selected from submitted abstracts. We welcome 
submissions on all aspects of structural biology and bioinformatics, and in 
other related fields of research. The conference will be entirely in English 
and we encourage both national and international participants to register and 
attend.



Make plans for your participation now - register today!



We would also greatly appreciate if you could forward this announcement to 
anybody who may be interested, and if you post the poster available at the 
conference's website at a message board in your institution.





Yours sincerely,



Janusz Bujnicki

on behalf of the Organizing Commiittee



P.S. Apologies for possible multiple postings!



Re: [ccp4bb] Modified residue list

2011-07-27 Thread Robert Esnouf
Dear Bernhard,

Funnily enough we wanted to do precisely that yesterday and 
the kind folks at the PDBe sent us this csv file (attached, 
but small).

It is the result of a query in the PDBe/chem database of all 
residues for which the molecule type is amino acid. Other 
than all the cases you are after it includes names longer than 
1-letter which are derived from di-, tri- and tetra-peptides 
and several X residues which have the alpha-amino acid 
mainchain but sidechains which cannot be considered to be 
derived from natural amino acids.

Hope this helps,
Robert

--

Dr. Robert Esnouf,
University Research Lecturer
and Head of Research Computing,
Wellcome Trust Centre for Human Genetics,
Roosevelt Drive, Oxford OX3 7BN, UK

Emails: rob...@strubi.ox.ac.uk   Tel: (+44) - 1865 - 287783
and rob...@esnouf.comFax: (+44) - 1865 - 287547


table_export.csv
Description: MS-Excel spreadsheet


Re: [ccp4bb] small lysozyme crystals?

2011-07-27 Thread Patrick Shaw Stewart
James

One thing you should be aware of is that bugs growing in the lysozyme
stock solution can have a dramatic effect on the number and size of
crystals.

(Way, way) back in 1993 when I was in David Blow's lab we noticed an
ageing effect with the lysozyme stock solution; if we dissolved
freeze-dried lysozyme and set up experiments immediately we got a few
large crystals.  If, however, we did exactly the same thing except
that we kept the lysozyme protein stock overnight in an Eppendorf tube
(using a certain batch of tubes), then set up experiments the next
morning, we grew dozens of small crystals.

The effect seemed to be caused by fungi that were growing in the tubes
because fungicides eliminated the effect whereas antibiotics didn't,
see below.

I have often wondered whether people designing e.g. microgravity
experiments that are stored for several days before launching are
aware of this!

Best wishes

Patrick


See http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2142306/

Abstract
This work investigates the influence of storage of lysozyme in
solution on its crystallization. The crystallization of hen egg-white
lysozyme exhibits a storage effect (aging) that depends on the length
of time the lysozyme solution is stored, after dissolving from
freeze-dried powder, before being brought to crystallization
conditions. The number of crystals obtained increases, while their
size decreases, as the solution ages. Observations suggest that this
effect is due to the presence of fungi that multiply in the stored
protein solution. This aging effect was used to control nucleation and
determine the number and size of lysozyme crystals to be formed in a
given sample.

Summary of results
1. Under the particular conditionosf these experiments,
growth of lysozyme crystals depends on thep resence
of a nucleating agent.

2. Aging of lysozyme in solution gives rise to enhanced
nucleation.

3. The aging effect is independent of the source of the
lysozyme powder.

4. Filtration or centrifugation prior to aging does not
eliminate the aging but lessens the number of crystals
grown.

5. The agent responsible for the enhanced nucleation
can be removed by centrifugation or filtration even
after aging has occurred.

6. Desalting increases aging.

7. Aging is prevented by antifungal agents but is not
affected by either class of antibiotics.

8. Aging is eliminated when a filtered solution is stored
in a sterile vial.

9. Nucleation (and consequently the number of crystals
grown) can be controlled by altering the ratio
of freshly filtered and aged protein solution just
prior to crystallization.

On Tue, Jul 26, 2011 at 6:56 PM, James Holton jmhol...@lbl.gov wrote:
 Does anyone out there have a protocol of growing HEWL crystals that are
 all 50-100 microns wide?  I gave this project to a summer student
 recently, thinking it would be easy, but it is turning out to be more
 difficult than I thought.  Keep getting sphereulites instead of small
 crystals.  Yes, I know you can smash a large lysozyme crystal with a
 hammer, but that is not exactly what I was going for.  What I was hoping
 for was a well-defined protocol for growing reference crystals that
 stay evenly illuminated in our x-ray beams as they rotate.  The beam is
 100 um wide.

 I'm sure someone has done this before?

 -James Holton
 MAD Scientist




-- 
 patr...@douglas.co.uk    Douglas Instruments Ltd.
 DouglasHouse, EastGarston, Hungerford, Berkshire, RG177HD, UK
 Directors: Peter Baldock, Patrick Shaw Stewart

 http://www.douglas.co.uk
 Tel: 44 (0) 148-864-9090    US toll-free 1-877-225-2034
 Regd. England 2177994, VAT Reg. GB 480 7371 36


[ccp4bb] Purity of DNA oligos in protein co-crystal attempts.

2011-07-27 Thread Charles Allerston
Dear all,


I am trying to decide on the many variables I need to consider to attempt a 
co-crystal between a protein I work on and a DNA oligo of ~35nt in length.

As well as molar ratio which from the literature I have seen 1.2-1.5 in excess 
of DNA, I note from the various oligo companies that there are several levels 
of purity available.

I would be very interested to hear from you about your experiences specifically 
trying VARIOUS purity levels and also the specific company you used?  Also, any 
rationalisation as to what the contaminating entities are which may prevent 
co-crystallisation would be welcome.

If you reply direct to me, I would be happy to provide a digest of responses 
for the board?

Any help/advice/anecdotes would be most appreciated.

Cheers,

charlie



Dr. Charles Allerston
Genome Integrity Group
Structural Genomics Consortium
Nuffield Department of Medicine
Old Road Campus
University of Oxford
OX3 7DQ
http://www.sgc.ox.ac.uk/




Re: [ccp4bb] Purity of DNA oligos in protein co-crystal attempts.

2011-07-27 Thread Ed Pozharski
On Wed, 2011-07-27 at 13:42 +0100, Charles Allerston wrote:
 I am trying to decide on the many variables I need to consider to
 attempt a co-crystal between a protein I work on and a DNA oligo of
 ~35nt in length.  
 

In my somewhat limited protein:DNA crystallization experience, the less
pure oligos are just fine.  I suspect that protein:DNA complex
crystallization is just like protein crystallization - every system is
different and whatever worked for someone in the past may not be
applicable in your case.  Basic rules are (may the protein:DNA
crystallization experts correct me and expand the list):

1.  Keep the DNA length close to whole number of turns.
2.  Try blunt ends, single and double overhangs.
3.  Slight DNA excess.
4.  May try less purified (and thus cheaper) DNA first.

Some anecdotes:

1.  Everyone knows complex can be purified, but it is rarely done.
2.  Screens designed to crystallize protein:DNA complexes are a hoax.
3.  Bet on PEG!
4.  Don't give up on 10A resolution - just shoot ~1000 crystals and one
will give you a nasty twinned 3A dataset.

Cheers,

Ed. 


-- 
Oh, suddenly throwing a giraffe into a volcano to make water is crazy?
Julian, King of Lemurs


Re: [ccp4bb] small lysozyme crystals?

2011-07-27 Thread Karthik S
i wonder if crushing with a hammer maybe a good first step. does
streak seeding after that give smaller crystals amongst the range of
different size crystals possible. perhaps? either way would be good
for the summer student to try out.

--
Karthik

On Tue, Jul 26, 2011 at 10:55 AM, James Holton jmhol...@lbl.gov wrote:
 Does anyone out there have a protocol of growing HEWL crystals that are all
 50-100 microns wide?  I gave this project to a summer student recently,
 thinking it would be easy, but it is turning out to be more difficult than I
 thought.  Keep getting sphereulites instead of small crystals.  Yes, I know
 you can smash a large lysozyme crystal with a hammer, but that is not
 exactly what I was going for.  What I was hoping for was a well-defined
 protocol for growing reference crystals that stay evenly illuminated in
 our x-ray beams as they rotate.  The beam is 100 um wide.

 I'm sure someone has done this before?

 -James Holton
 MAD Scientist



[ccp4bb] NXClient on OSX Lion

2011-07-27 Thread Bosch, Juergen
Those of you who need NXClient should upgrade to NXPlayer, even though it's an 
alpha release it seems to work fine on Lion for connections to SSRL. NXClient 
won't work on Lion as it is 32bit PPC

Along those lines Kaleidagraph needs to be updated to 4.1.2 then it works fine 
under Lion.

Existing fink builds seem to work, however I can't get fink to compile 
something right now. But Bill has updated his webpage, which I should take a 
look at.

Jürgen

..
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry  Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab:  +1-410-614-4894
Fax:  +1-410-955-3655
http://web.mac.com/bosch_lab/





Re: [ccp4bb] How to build N-terminal PCA?

2011-07-27 Thread Roger Rowlett

  
  
The residue PCA can be added directly from Coot
  using File...Get Monomer and choosing "PCA". Once positioned
  properly, the peptide bond links will be recognized by Coot and
  Refmac and refinement is no problem. If using CNS, you may have to
  include the proper parameter and topology files from your favorite
  source, e.g. HIC-UP.
  
  Cheers,
  
  ___
  Roger S. Rowlett
  Gordon  Dorothy Kline Professor
  Department of Chemistry
  Colgate University
  13 Oak Drive
  Hamilton, NY 13346
  
  tel: (315)-228-7245
  ofc: (315)-228-7395
  fax: (315)-228-7935
  email: rrowl...@colgate.edu

On 7/27/2011 9:38 AM, Huayue Li wrote:

  
  



  Dear all,
  

  
  I have got a problem on building the N-terminal
pyroglutamic
acid (PCA).
  
  
  I'm afraid I have successfully defined *.top, *.param
and *.link
files of PCA; and also successfullyoutput *.mtf and
*.pdb
files.
  
  
  
  Everything seems right! I can not find any problem
within these
files.
  
  
  
  However, when the annealing.inp executed, it
did
not output *.pdb files.
  
  
  What is the problem? I will attach corresponding files
together.
  
  
  
  Thank you very much!
  
  
  Huayue








  
  
  
  
  
  
  






  
  
  
  College of Pharmacy
  Pusan National University
  Busan, Korea
   

  



Re: [ccp4bb] small lysozyme crystals?

2011-07-27 Thread Danny Axford
As a bit of an aside, my current reference crystal of choice is a Germanium 
Oxide with a 51.3Ang cubic cell.
see here:
http://www.nature.com/nature/journal/v437/n7059/full/nature04097.html
It is much more raditation hard than protein so I can do repeated measurements 
in the synchrotron beam without radiation damage becoming a factor. It is also 
physically harder than protein crystal making it easy to break up into sizes of 
choice and there is no worry about keeping it optimally hydrated.

Cheers,
Danny

DLS I24 Micro-focus Beamline


Re: [ccp4bb] How to build N-terminal PCA?

2011-07-27 Thread Ian Clifton
Huayue Li lihua...@naver.com writes:

I have got a problem on building the N-terminal pyroglutamic acid
(PCA).


I'm afraid I have successfully defined *.top, *.param and *.link files
of PCA; and also successfully output *.mtf and *.pdb files.

Everything seems right! I can not find any problem within these files.

However, when the annealing.inp executed,  it did not output *.pdb
files.

What is the problem? I will attach corresponding files together.


It just seems to fail mid‐job! Are you sure it’s nothing trivial, like
disk space?
-- 
Ian ◎


[ccp4bb] pdb_extact and refmac5.6

2011-07-27 Thread Jan Abendroth
Hi all,
we typically use pdb_extract to generate pdb files with a good header.
There seems to be an issue with logfiles from refmac5.6.0117, distributed
with the current ccp4 version, and pdb_extract.

pdb_extract version-3.006 is distributed with ccp4-6.2.0. While reading the
refmac log file, pdb_extract chokes with a segmentation fault. When run
without reading in the refmac log file, the program complains about the
following missing link, both in the linux and osx distribution of ccp4.

Can not open file
(/usr/local/ccp4/ccp4-6.2.0/ccp4-6.2.0//src/harvest_app_/pdb_extract/pdb-extract-data/mmcif_pdbx_2.items)
in get_lines_from_file

pdb_extract version-3.010, as downloaded form the rcsb webpage also chokes
on the refmac5 logfile with a segmentation fault.

Any ideas how to treat the new refmac log files in pdb_extract?

Thanks a lot.
Jan


-- 
Jan Abendroth
Emerald Biostructures
Seattle / Bainbridge Island, WA, USA
home: Jan.Abendroth_at_gmail.com
work: JAbendroth_at_embios.com
http://www.emeraldbiostructures.com


Re: [ccp4bb] pdb_extact and refmac5.6

2011-07-27 Thread Eric Larson

Hi Jan,

Have you tried using the x.refmac file that is created instead of the log file.  It 
is in cif format and may be in the DepositFiles directory.

Hope you are well and talk to you later,

Eric


Eric T. Larson, PhD
Biomolecular Structure Center
Department of Biochemistry
Box 357742
University of Washington
Seattle, WA 98195

email: larso...@u.washington.edu


On Wed, 27 Jul 2011, Jan Abendroth wrote:


Hi all,
we typically use pdb_extract to generate pdb files with a good header.
There seems to be an issue with logfiles from refmac5.6.0117, distributed with 
the current ccp4 version, and pdb_extract.

pdb_extract version-3.006 is distributed with ccp4-6.2.0. While reading the 
refmac log file, pdb_extract chokes with a segmentation fault. When run
without reading in the refmac log file, the program complains about the 
following missing link, both in the linux and osx distribution of ccp4.

Can not open file 
(/usr/local/ccp4/ccp4-6.2.0/ccp4-6.2.0//src/harvest_app_/pdb_extract/pdb-extract-data/mmcif_pdbx_2.items)
 in get_lines_from_file

pdb_extract version-3.010, as downloaded form the rcsb webpage also chokes on 
the refmac5 logfile with a segmentation fault.

Any ideas how to treat the new refmac log files in pdb_extract?

Thanks a lot.
Jan


--
Jan Abendroth
Emerald Biostructures
Seattle / Bainbridge Island, WA, USA
home: Jan.Abendroth_at_gmail.com
work: JAbendroth_at_embios.com
http://www.emeraldbiostructures.com





[ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-27 Thread Jonathan Kay
Hi all,

I have a RHEL 6 x86_64 machine I recently installed CCP4-6.2.0 onto; the 
install went through fine, but when I went to install the ARP/wARP GUI (via 
System Administration - Install/uninstall task), I received the following 
error in the shell window I started ccp4i from:

UnpackTaskArchive: uncompress failed to create 
/tmp/user/install_ARP_wARP_CCP4I6/ARP_wARP_CCP4I6.tar
ExamineTaskArchive: failed to unpack temporary copy of 
/usr/local/arp_warp_7.1/ARP_wARP_CCP4I6.tar.gz

/tmp is not at all full and has plenty of inodes left.
(running the install.sh from the arp_warp_7.1 directory doesn't install it 
either)

I have searched around for some solutions, but haven't found anything really 
relevant.
The odd thing I have another x86_64 machine running RHEL 5 that I can do the 
exact same install method and it works (and using the install.sh from 
arp_warp_7.1/ works too), so I wonder if something changed with RHEL6 that 
might be causing problems?

Anyone have any suggestions?

Thanks!
Jonathan


Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-27 Thread Jürgen Bosch
Hi Jonathan,
seems to be a UW centered day today on the BB (Eric, Jan, you, me).
Have the permissions changed ? I assume you are installing as root ?
Wouldn't be surprised if Ethan replies soon :-)

Jürgen 

..
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry  Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab:  +1-410-614-4894
Fax:  +1-410-955-3655
http://web.mac.com/bosch_lab/

On Jul 27, 2011, at 20:31, Jonathan Kay jp...@u.washington.edu wrote:

 Hi all,
 
 I have a RHEL 6 x86_64 machine I recently installed CCP4-6.2.0 onto; the 
 install went through fine, but when I went to install the ARP/wARP GUI (via 
 System Administration - Install/uninstall task), I received the following 
 error in the shell window I started ccp4i from:
 
 UnpackTaskArchive: uncompress failed to create 
 /tmp/user/install_ARP_wARP_CCP4I6/ARP_wARP_CCP4I6.tar
 ExamineTaskArchive: failed to unpack temporary copy of 
 /usr/local/arp_warp_7.1/ARP_wARP_CCP4I6.tar.gz
 
 /tmp is not at all full and has plenty of inodes left.
 (running the install.sh from the arp_warp_7.1 directory doesn't install it 
 either)
 
 I have searched around for some solutions, but haven't found anything really 
 relevant.
 The odd thing I have another x86_64 machine running RHEL 5 that I can do the 
 exact same install method and it works (and using the install.sh from 
 arp_warp_7.1/ works too), so I wonder if something changed with RHEL6 that 
 might be causing problems?
 
 Anyone have any suggestions?
 
 Thanks!
 Jonathan


Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-27 Thread Ethan Merritt
On Wednesday, 27 July 2011, you wrote:
 Hi Jonathan,
 seems to be a UW centered day today on the BB (Eric, Jan, you, me).
 Have the permissions changed ? I assume you are installing as root ?
 Wouldn't be surprised if Ethan replies soon :-)

Sure.

I hit the same problem trying to install Arp/wARP on Mandriva.
The specific error message you quote comes because the install
script fails to create the temp directory before trying to unpack
into it.  You can fix that by creating the directory by hand first.
Unfortunately, that doesn't help very much.  The next thing that
happens is that the ccp4i installer complains that the tarball
is not recognized as a ccp4i install tarball.  I gave up at that
point.

Ethan



 
 Jürgen 
 
 ..
 Jürgen Bosch
 Johns Hopkins Bloomberg School of Public Health
 Department of Biochemistry  Molecular Biology
 Johns Hopkins Malaria Research Institute
 615 North Wolfe Street, W8708
 Baltimore, MD 21205
 Phone: +1-410-614-4742
 Lab:  +1-410-614-4894
 Fax:  +1-410-955-3655
 http://web.mac.com/bosch_lab/
 
 On Jul 27, 2011, at 20:31, Jonathan Kay jp...@u.washington.edu wrote:
 
  Hi all,
  
  I have a RHEL 6 x86_64 machine I recently installed CCP4-6.2.0 onto; the 
  install went through fine, but when I went to install the ARP/wARP GUI (via 
  System Administration - Install/uninstall task), I received the following 
  error in the shell window I started ccp4i from:
  
  UnpackTaskArchive: uncompress failed to create 
  /tmp/user/install_ARP_wARP_CCP4I6/ARP_wARP_CCP4I6.tar
  ExamineTaskArchive: failed to unpack temporary copy of 
  /usr/local/arp_warp_7.1/ARP_wARP_CCP4I6.tar.gz
  
  /tmp is not at all full and has plenty of inodes left.
  (running the install.sh from the arp_warp_7.1 directory doesn't install it 
  either)
  
  I have searched around for some solutions, but haven't found anything 
  really relevant.
  The odd thing I have another x86_64 machine running RHEL 5 that I can do 
  the exact same install method and it works (and using the install.sh from 
  arp_warp_7.1/ works too), so I wonder if something changed with RHEL6 that 
  might be causing problems?
  
  Anyone have any suggestions?
  
  Thanks!
  Jonathan
 


[ccp4bb] Fab:antigen complex crystallization!!!

2011-07-27 Thread xaravich ivan
Hi everyone,
I have been trying to crystallize Fab:antigen complex( 50kda:90kDa) complex
and initially got needle clusters which after microseeding gave me single
crystals but they are very small and I could not repeat the results. I have
been using HEPES buffer at pH 6.8 to do the final SEC purification step of
the complex before setting trays.
I was wondering whether there are some other buffers (that one could suggest
eg tris-hcl etc) which have given decent positive results when crystallizing
Fab complexes.Though I have gone through individual papers (case by case) to
get some idea, It would be great if anyone could direct me to a
comprehensive literature towards studying the crystatllization conditions of
Fab complexes.
 Equally, people who have considerable experience could suggest a list of
must do steps for such problems which have routinely been practiced in their
lab


Also what is a good storage condition for the excess complex that you want
to use later?

I would really appreciate any suggestion,help, direction.

Thanks
ivan


Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-27 Thread ccp4
A plea from West Australia too.
I was sitting with someone yesterday who was trying to install it on a Mac
, and finding it a nightmare. 
He finally got it set up as a local installation, whereupon it promtly
failed. 
The message said See refmac-last.log but that told us nothing, and indeed
refmac seemed to have worked..

Can someone - either CCP4 or  arp-warp people check this out?

Eleanor

On Wed, 27 Jul 2011 20:35:50 -0700, Ethan Merritt
merr...@u.washington.edu wrote:
 On Wednesday, 27 July 2011, you wrote:
 Hi Jonathan,
 seems to be a UW centered day today on the BB (Eric, Jan, you, me).
 Have the permissions changed ? I assume you are installing as root ?
 Wouldn't be surprised if Ethan replies soon :-)
 
 Sure.
 
 I hit the same problem trying to install Arp/wARP on Mandriva.
 The specific error message you quote comes because the install
 script fails to create the temp directory before trying to unpack
 into it.  You can fix that by creating the directory by hand first.
 Unfortunately, that doesn't help very much.  The next thing that
 happens is that the ccp4i installer complains that the tarball
 is not recognized as a ccp4i install tarball.  I gave up at that
 point.
   
   Ethan
 
 
 
 
 Jürgen 
 
 ..
 Jürgen Bosch
 Johns Hopkins Bloomberg School of Public Health
 Department of Biochemistry  Molecular Biology
 Johns Hopkins Malaria Research Institute
 615 North Wolfe Street, W8708
 Baltimore, MD 21205
 Phone: +1-410-614-4742
 Lab:  +1-410-614-4894
 Fax:  +1-410-955-3655
 http://web.mac.com/bosch_lab/
 
 On Jul 27, 2011, at 20:31, Jonathan Kay jp...@u.washington.edu wrote:
 
  Hi all,
  
  I have a RHEL 6 x86_64 machine I recently installed CCP4-6.2.0 onto;
  the install went through fine, but when I went to install the
ARP/wARP
  GUI (via System Administration - Install/uninstall task), I received
  the following error in the shell window I started ccp4i from:
  
  UnpackTaskArchive: uncompress failed to create
  /tmp/user/install_ARP_wARP_CCP4I6/ARP_wARP_CCP4I6.tar
  ExamineTaskArchive: failed to unpack temporary copy of
  /usr/local/arp_warp_7.1/ARP_wARP_CCP4I6.tar.gz
  
  /tmp is not at all full and has plenty of inodes left.
  (running the install.sh from the arp_warp_7.1 directory doesn't
  install it either)
  
  I have searched around for some solutions, but haven't found anything
  really relevant.
  The odd thing I have another x86_64 machine running RHEL 5 that I can
  do the exact same install method and it works (and using the
install.sh
  from arp_warp_7.1/ works too), so I wonder if something changed with
  RHEL6 that might be causing problems?
  
  Anyone have any suggestions?
  
  Thanks!
  Jonathan



Re: [ccp4bb] Fab:antigen complex crystallization!!!

2011-07-27 Thread Sean Seaver
Dear Ivan,

If you take a look at the MPCD ( http://www.cinam.univ-mrs.fr/mpcd/ ) and 
search for Fab it brings up 172 crystallization conditions.  The names should 
help you narrow down, which conditions are of a complex.  Hopefully, you can 
use those conditions to help you decide, which direction you want to head.

Spoiler - Fabs like ammonium sulfate.

Take Care,

Sean

P212121
http://store.p212121.com/


Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-27 Thread Jan Abendroth
... strange, I have not seen any problems installing ARPwARP 7.1 on a new 
CCP6-6.2.0 install on
- linux centos
- os-x snow leopard, here I initially ran into write permissions issues and 
wound up changing the ownership of the /Applications/ccp4-6.2.0 directory

Cheers
Jan

On Jul 27, 2011, at 9:00 PM, ccp4 wrote:

 A plea from West Australia too.
 I was sitting with someone yesterday who was trying to install it on a Mac
 , and finding it a nightmare. 
 He finally got it set up as a local installation, whereupon it promtly
 failed. 
 The message said See refmac-last.log but that told us nothing, and indeed
 refmac seemed to have worked..
 
 Can someone - either CCP4 or  arp-warp people check this out?
 
 Eleanor
 
 On Wed, 27 Jul 2011 20:35:50 -0700, Ethan Merritt
 merr...@u.washington.edu wrote:
 On Wednesday, 27 July 2011, you wrote:
 Hi Jonathan,
 seems to be a UW centered day today on the BB (Eric, Jan, you, me).
 Have the permissions changed ? I assume you are installing as root ?
 Wouldn't be surprised if Ethan replies soon :-)
 
 Sure.
 
 I hit the same problem trying to install Arp/wARP on Mandriva.
 The specific error message you quote comes because the install
 script fails to create the temp directory before trying to unpack
 into it.  You can fix that by creating the directory by hand first.
 Unfortunately, that doesn't help very much.  The next thing that
 happens is that the ccp4i installer complains that the tarball
 is not recognized as a ccp4i install tarball.  I gave up at that
 point.
  
  Ethan
 
 
 
 
 Jürgen 
 
 ..
 Jürgen Bosch
 Johns Hopkins Bloomberg School of Public Health
 Department of Biochemistry  Molecular Biology
 Johns Hopkins Malaria Research Institute
 615 North Wolfe Street, W8708
 Baltimore, MD 21205
 Phone: +1-410-614-4742
 Lab:  +1-410-614-4894
 Fax:  +1-410-955-3655
 http://web.mac.com/bosch_lab/
 
 On Jul 27, 2011, at 20:31, Jonathan Kay jp...@u.washington.edu wrote:
 
 Hi all,
 
 I have a RHEL 6 x86_64 machine I recently installed CCP4-6.2.0 onto;
 the install went through fine, but when I went to install the
 ARP/wARP
 GUI (via System Administration - Install/uninstall task), I received
 the following error in the shell window I started ccp4i from:
 
 UnpackTaskArchive: uncompress failed to create
 /tmp/user/install_ARP_wARP_CCP4I6/ARP_wARP_CCP4I6.tar
 ExamineTaskArchive: failed to unpack temporary copy of
 /usr/local/arp_warp_7.1/ARP_wARP_CCP4I6.tar.gz
 
 /tmp is not at all full and has plenty of inodes left.
 (running the install.sh from the arp_warp_7.1 directory doesn't
 install it either)
 
 I have searched around for some solutions, but haven't found anything
 really relevant.
 The odd thing I have another x86_64 machine running RHEL 5 that I can
 do the exact same install method and it works (and using the
 install.sh
 from arp_warp_7.1/ works too), so I wonder if something changed with
 RHEL6 that might be causing problems?
 
 Anyone have any suggestions?
 
 Thanks!
 Jonathan
 

--
Jan Abendroth
Emerald BioStructures
Seattle / Bainbridge Island WA, USA
home: Jan.Abendroth_at_gmail.com
work: JAbendroth_at_embios.com
http://www.emeraldbiostructures.com