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Dear Graeme, that sounded to me at first like xia2 and DIALS could be written in Python3 and still use cctbx. But thinking about it, this cannot be true; once you run your code, you have to run either the Python2 or the Python3 interpreter. And if you try to use Python3, it will not correctly run cctbx. I think what you do in xia2 and DIALS is write code that now runs under Python2, but will/would still work if run under Python3 - but this requires converting cctbx to Python3 (which, as I saw on some webpage, is a goal for 2018 IIUC). Right? Pls ignore my ignorance; I'm a beginner in this area ... best, Kay On Wed, 6 Jun 2018 20:22:10 +0000, [log in to unmask] <[log in to unmask]> wrote: >Dear Kay, > > >While I am obviously biased, I have to say that using cctbx (even if it is "old" Python) has a lot to be said for it - there are a lot of tools in there which are useful once you have read the reflection data & want to do crystallography. > > >Re: Python 3: within xia2, DIALS and other cctbx-derived projects we have moved to writing Python which is compatible with 2.7.x and 3.x language standards - by and large it is not a hardship and means you can write code today which will continue to be useful. There is a wider push to migrate cctbx to 2.7.x and 3.x compatibility however it is a large code base and it's a fair amount of work. There's more to it than just adding brackets after print though :-) > > >Best wishes Graeme > >________________________________ >From: CCP4 bulletin board <[log in to unmask]> on behalf of Kay Diederichs <[log in to unmask]> >Sent: 06 June 2018 19:47:07 >To: ccp4bb >Subject: Re: [ccp4bb] Python3 and MTZ > >Dear Nicolas, > >my (our) motivation is purely that when learning Python today, and developing something from scratch, Python3 appears like the better choice (compared to version 2) - provided that basic crystallographic libraries can be used. > >Just a note (for those whose operating system provides only one of the two Python flavours): RHEL7 has Python2 as system library, but Python3 can be installed in parallel (using "Software Collections"). The user makes a choice by setting the PATH variable. > >best, > >Kay > >On Wed, 6 Jun 2018 15:43:16 +0200, Nicolas FOOS <[log in to unmask]> wrote: > >>Dear Kay, >> >>depending of the motivation to develop in python3 (could be due to an OS >>using python3 by default or you really prefer to work with python3). If >>it's due to the OS, a possible strategy is to use virtualenv >>(https://virtualenv.pypa.io/en/stable/) which let you use python2 even >>if python3 is the default version for the OS. It exist probably other >>method to have a contain installation of python2 with all the library needs. >> >>I used this strategy (virtualenv) to install ccp4 (with the installer >>which needed python2) on a manjaro linux (Arch based) running python3 >>and that works very well. >> >>Nicolas >> >>Nicolas Foos >>PhD >>Structural Biology Group >>European Synchrotron Radiation Facility (E.S.R.F) >>71, avenue des Martyrs >>CS 40220 >>38043 GRENOBLE Cedex 9 >>+33 (0)6 76 88 14 87 >>+33 (0)4 76 88 45 19 >> >>On 06/06/2018 14:25, Kay Diederichs wrote: >>> Dear all, >>> >>> I haven't tried to read MTZ files from Python until now, but for a new >>> project in my lab I'd like to do that - and with Python3. >>> >>> Googling around, it seems that iotbx from cctbx is not (yet) >>> Python3-compatible. >>> >>> So, what are my options? >>> >>> thanks, >>> >>> Kay >> >>######################################################################## >> >>To unsubscribe from the CCP4BB list, click the following link: >>https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > >######################################################################## > >To unsubscribe from the CCP4BB list, click the following link: >https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > >-- >This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. 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