Dear all,

For experiments that involve switching between different versions of CCP4 you might like to try the CCP4Dispatchers scripts (see http://www.ccp4.ac.uk/html/CCP4Dispatchers.html). On a binary install of ccp4 6.4.0 these will have been generated automatically. For example, on my Linux machine typing /path/to/ccp4-6.4.0/share/python/CCP4Dispatchers/bin/imosflm starts imosflm without anything needed to be sourced in the terminal beforehand. Of course this is more useful if dispatchers are also generated for the other versions of CCP4 you want to use. There are some instructions for doing that in the link above, and the files you need are located in $CCP4/libexec of a ccp4-6.4.0 install.

Cheers

-- David


On 28 April 2014 17:01, Tim Gruene <[log in to unmask]> wrote:
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Dear Sreetama, dear Ian,

I avoid sourcing both version 6.3 and 6.4 in the same terminal. If I
need to work with 6.3 I modify my .bashrc from 6.4 to 6.3 and then
open a new terminal to make sure everything refers to v6.3 and vice versa.

Best,
Tim


On 04/28/2014 04:51 PM, Ian Tickle wrote:
> Harry,
>
> I've run into this problem before with other programs when I switch
> between v6.3 & v6.4.  I think the problem is this code in
> ccp4.setup-sh:
>
> if [ `expr ":${PATH}:" : ".*:${dir}:"` -eq 0 ]; then if test
> $ccp4_first_in_path -eq 1; then PATH=${dir}:${PATH} else
> PATH=${PATH}:${dir} fi fi
>
> Ignore the 'ccp4_first_in_path' business, unless the user has
> hacked the script it always takes the 'then' clause of the 'if' so
> it's actually doing this:
>
> if [ `expr ":${PATH}:" : ".*:${dir}:"` -eq 0 ]; then if test
> $ccp4_first_in_path -eq 1; then PATH=${dir}:${PATH} fi fi
>
> So what happens is that the first time you source the setup for
> v6.4 it prepends the directories for that version.  If you then
> source the setup for v6.3 it prepends the directories for that and
> you will use the v6.3 executables.  So far so good.  Now what
> happens if you source the setup for v6.4 again?  The code above
> ensures that the v6.4 directory is NOT prepended again and so it
> will continue to use v6.3 until you logout & in again & reset the
> path.
>
> Cheers
>
> -- Ian
>
>
>
>
>
>
>
> On 28 April 2014 14:54, Harry Powell <[log in to unmask]>
> wrote:
>
>> Hi Sreetama
>>
>> That's the problem - sourcing the old ccp4 6.3 distro has set up
>> MOSFLM_EXEC to point to an old copy of ipmosflm that will not run
>> with the latest iMosflm.
>>
>>> Mosflm version 7.0.9  for Image plate and CCD data 14th May
>>> 2012
>>
>> which cannot be used with iMosflm 7.1.0.
>>
>> So it looks like there might be an issue with the ccp4 6.4 setup
>> not over-writing the environment variable MOSFLM_EXEC as it
>> should. The immediate way round this would be to not source ccp4
>> 6.3 in any terminal that you want to run iMosflm from.
>>
>> Can you send me & [log in to unmask] (*not* to the ccp4bb, please)
>> the output of
>>
>> echo $PATH which $MOSFLM_EXEC
>>
>> (1) before you "source ccp4-6.3" (2) after you "source ccp4-6.3"
>> (3) after you "source ccp4-6.4"
>>
>> So that we can get a clear idea of what is happening to your PATH
>> when you do each of these three things.
>>
>> On 28 Apr 2014, at 14:38, sreetama das wrote:
>>
>>> Dear Sir, If I sorce ccp4-6.3, and then change in the bashrc
>>> file &
>> source ccp4-6.4, (and source the modified .bashrc file in either
>> case) but don't close the previous terminal, then opening imosflm
>> gives the aforementioned error. After closing the imosflm GUI, if
>> I type at the terminal, I get the following:
>>>
>>> sreetama@sreetama-laptop:~/data $ $MOSFLM_EXEC <B><FONT
>>> COLOR="#FF0000"><!--SUMMARY_BEGIN--> <html> <!-- CCP4 HTML
>>> LOGFILE --> <hr> <!--SUMMARY_END--></FONT></B>
>>>
>>>
>>> ************ Mosflm version 7.0.9  for Image plate and CCD data
>>> 14th
>> May 2012  ***********
>>> Andrew Leslie and Harry Powell, MRC Laboratory of Molecular
>>> Biology, Hills Road, Cambridge CB2 0QH, UK E-mails:
>>> [log in to unmask], [log in to unmask] References:
>>> Mosflm: A.G.W. Leslie and H.R. Powell (2007), Evolving Methods
>>> for Macromolecular Crystallography, 245, 41-51 ISBN
>> 978-1-4020-6314-5
>>> New auto-indexing based on DPS: I. Steller R. Bolotovsky and
>>> M.G.
>> Rossmann
>>> (1997) J. Appl. Cryst. 30, 1036-1040 New iMosflm GUI:  T.G.G.
>>> Battye, L. Kontogiannis, O. Johnson, H.R.
>> Powell
>>> and A.G.W. Leslie.(2011) Acta Cryst. D67, 271-281)
>>>
>> --------------------------------------------------------------------------------
>>>
>>
How much of this information is useful in diagnosing user problems?
>>> Mosflm run on Monday, April 28 2014 at 19:01 by sreetama
>>> Compiler command: gfortran Compiler version: GNU Fortran (GCC)
>>> 4.4.7 Copyright (C) 2010 Free
>> Software Foundation, Inc. GNU Fortran comes with NO WARRANTY, to
>> the extent permitted by law. You may redistribute copies of GNU
>> Fortran under the terms of the GNU General Public License. For
>> more informatio
>>> Executable type:  ELF 32-bit LSB executable, Intel 80386,
>>> version
>> 1 (SYSV), dynamically linked (uses shared libs), not stripped
>>> This executable was built by ccb on Thursday, June 28 2012 at
>>> 09:33
>>>
>> --------------------------------------------------------------------------------
>>>
>>
MOSFLM =>
>>>
>>> Also the terminal refuses to close if I type exit. Forcibly
>>> closing the
>> terminal , and typing imosflm in a new terminal solves the
>> problem.
>>> regards, sreetama On Monday, 28 April 2014 6:52 PM, Harry
>>> Powell <[log in to unmask]>
>> wrote:
>>> Hi
>>>
>>> When you get this error, and "everything" has been closed, what
>>> do you
>> get if you type (in the same terminal window that you tried to
>> start iMosflm) -
>>>
>>> $MOSFLM_EXEC
>>>
>>> ?
>>>
>>> It's plain from the message that
>>>
>>> "ipmosflm" is not compatible'
>>>
>>> that iMosflm is trying to run with an incompatible MOSFLM_EXEC
>>> (maybe
>> from the old ccp4 6.3 distribution, but there could be other
>> reasons).
>>>
>>> On 28 Apr 2014, at 13:05, sreetama das wrote:
>>>
>>>> Dear All, Whenever I open up imosflm GUI from the terminal, I
>>>> get
>> the following error:
>>>>
>>>> iMosflm version 7.1.1, 24th March 2014 "ipmosflm" is not
>>>> compatible. Please configure iMosflm with the correct
>>>> executable.
>>>>
>>>> clicking the Configure button at the bottom of the error
>>>> message panel
>> closes everything.
>>>> the following is shown on the  terminal:
>>>>
>>>> MOSFLM_EXEC set to ipmosflm testing MOSFLM_WISH
>>>> (/home/*****/Software/CCP4/ccp4-6.3.0/bin/wish) Tcl platform
>>>> is unix i686 Linux  3.8.0-32-generic TclTk version from info
>>>> patchlevel is 8.4.19 Tk windowing system is x11
>>>>
>>>>
>>>> I had run imosflm successfully just 2 hours before this
>>>> instance.
>> After that, I had enabled the older version of CCP4-6.3 (by
>> sourcing it from the .bashrc file)  for sometime to look at the
>> options in molrep (in CCP4-6.3), and then re-enabled the newer
>> CCP4-6.4.
>>>> Enabling ccp4-6.3 from the .bashrc file & typing imosflm
>>>> opens up the
>> older 7.0.1 version.
>>>>
>>>> The option "settings>environment variables" is not working in
>>>> the
>> newer imosflm version now, changing the value in the GUI of the
>> older version of imosflm doesn't help either.
>>>> I applied the latest CCP4 updates; that doesn't set things
>>>> right.
>>>>
>>>> Please let me know how to re-configure iMosflm to run with
>>>> ccp4-6.4.
>>>>
>>>> thanks & regards, sreetama
>>>
>>>
>>> Harry -- ** note change of address ** Dr Harry Powell, MRC
>>> Laboratory of Molecular Biology, Francis Crick
>> Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH
>>> Chairman of European Crystallographic Association SIG9
>>> (Crystallographic
>> Computing)
>>>
>>
>> Harry -- ** note change of address ** Dr Harry Powell, MRC
>> Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge
>> Biomedical Campus, Cambridge CB2 0QH Chairman of European
>> Crystallographic Association SIG9 (Crystallographic Computing)
>>
>

- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

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