Re: [COOT] Coot versions

2009-04-26 Thread Kay Diederichs

Victor Alves schrieb:

Hello

Since Ubuntu 9.04 now comes with Python 2.6, is there among the various Coot
versions available in Nightly builds, one that comes with GTK2 but not with
Python?

I hope this is not a very dumb question, but in my ignorance I have these
all kind of mixed up, namely which of the various Coot versions available
come with GTK1, GTK2, Guile, Python. Any other variations? 



there is a very simple solution: stop adding things to your $PATH. 
Instead, use a wrapper script that sets the PATH and other req'd 
environment variables for the program you want to run. E.g. have the 
following /usr/local/bin/coot :


#!/bin/csh -f
setenv PATH /where/ever/coot/was/installed/bin:$PATH
setenv COOT_BACKUP_DIR /tmp
exec coot $*

or some such (I am typing from memory) - you get the idea (you don't 
have to use csh).


In this way you may install as many python versions as your disk can 
accommodate.



One other question. In this link,
http://www.ysbl.york.ac.uk/~emsley/coot/build-info

Should I not use any builds which are red?

What about the size of the green bar?


from quick inspection I would guess that green bars mean built less 
than 24 hours ago and red bar more than 1 day old.




Thanks in advance

Victor Alves




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Re: [COOT] 'Isolate' Coot's Python2.6 from Ubuntu system

2009-04-26 Thread Paul Emsley

Victor Alves wrote:

Dear all

I installed Coot with Python and GTK2 in Ubuntu Intrepid 8.10.

Ubuntu 8.10 has Python 2.5.

Since 'ccp4-others.setup' file points to Coot's directory when I check
'which python' I get version 2.6 (the one Coot provides).


Is there a way to isolate Coot's python from Ubuntu system but still
maintaining the ability to call Coot from the terminal? So that Ubuntu's
Python version would be the active one for all the system (except for Coot)?



Dear Victor,

Thank you for reporting this problem.

It is not unreasonable for ccp4's setup to add the coot binary directory 
to the path.  However, (as you have noted) Coot adds its built-in python 
to this directory - and we do that deliberately (but I don't see why, 
currently).  You could try to remove python, python-2.6, python-config 
and python-2.6-config from that directory and coot should still work fine.


Please try this out and let us know if there are problems, I will remove 
their addition to the binaries if there are not.


(Of course, Kay's solution also works - and I do something like that 
myself, which is why I have not seen this problem).


Regards,

Paul.


Re: [COOT] Coot versions

2009-04-26 Thread Kay Diederichs

Hi Victor,

typing from memory is always problematic (in my case at least). My 
little C wrapper would not work because exec coot $* relies on the 
$PATH setting, and if that has /usr/local/bin it would call itself 
recursively.


For the record, this is the (actual) /usr/local/bin/coot that we use:

#!/bin/csh -f
setenv LANG C
exec /usr/local/src/coot-Linux-x86_64-centos-5-gtk2/bin/coot $*

BTW the LANG setting solves a problem with the comma (,) versus point 
(.) interpretation of PDB files (a FAQ).


Another BTW: the wrapper technique works nicely for phenix, cns, 
arpWarp, ... too, and would enable you to use different CCP4 versions in 
parallel, and so on - you get the idea.


HTH,

Kay

Kay Diederichs schrieb:

Victor Alves schrieb:

Hello

Since Ubuntu 9.04 now comes with Python 2.6, is there among the 
various Coot
versions available in Nightly builds, one that comes with GTK2 but not 
with

Python?

I hope this is not a very dumb question, but in my ignorance I have these
all kind of mixed up, namely which of the various Coot versions available
come with GTK1, GTK2, Guile, Python. Any other variations?


there is a very simple solution: stop adding things to your $PATH. 
Instead, use a wrapper script that sets the PATH and other req'd 
environment variables for the program you want to run. E.g. have the 
following /usr/local/bin/coot :


#!/bin/csh -f
setenv PATH /where/ever/coot/was/installed/bin:$PATH
setenv COOT_BACKUP_DIR /tmp
exec coot $*

or some such (I am typing from memory) - you get the idea (you don't 
have to use csh).


In this way you may install as many python versions as your disk can 
accommodate.



One other question. In this link,
http://www.ysbl.york.ac.uk/~emsley/coot/build-info

Should I not use any builds which are red?

What about the size of the green bar?


from quick inspection I would guess that green bars mean built less 
than 24 hours ago and red bar more than 1 day old.




Thanks in advance

Victor Alves






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Re: [COOT] Coot versions

2009-04-26 Thread Paul Emsley

Kay Diederichs wrote:

Victor Alves schrieb:





One other question. In this link,
http://www.ysbl.york.ac.uk/~emsley/coot/build-info

Should I not use any builds which are red?

What about the size of the green bar?


from quick inspection I would guess that green bars mean built less 
than 24 hours ago and red bar more than 1 day old.




That's right.  Because the builds happen every night [1] the colours are 
a hint to us that something may have gone wrong in the daily/nightly builds.


I have been thinking about reworking this page, because now that it is 
used by users (not just developers) it is problematic that a big red bar 
sometimes represents a quite recent build (as the comment from Victor 
suggests).


Paul.

[1] actually, there are exceptions, which make things non-straightforward.


[COOT] monomer DB

2009-04-26 Thread Justin Lecher
Hi all,

what is the difference between the monomers db which is provided by coot and 
the one which is provided by
refmac/ccp4? Can one interchange them?

thanks justin

-- 
Justin Lecher
Institute for  Neuroscience and Biophysics
INB 2 - Molecular Biophysics II
Research centre Juelich GmbH,
52425 Juelich,Germany
phone: +49 2461 61 5385




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