PAIREF
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webinar_2021-03 [2021/03/19 15:55] – CC* malywebinar_2021-03 [2021/03/24 10:09] (current) – video maly
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   - Short tutorial. [[https://pairef.fjfi.cvut.cz/docs/pairef_poli_webinar/PAIREF_webinar_poli.zip|Download the archive with the data]].   - Short tutorial. [[https://pairef.fjfi.cvut.cz/docs/pairef_poli_webinar/PAIREF_webinar_poli.zip|Download the archive with the data]].
   - Discussion.   - Discussion.
 +
 +[[https://pairef.fjfi.cvut.cz/docs/pairef_poli_webinar/PAIREF_webinar_2021-03.pdf|Download these webinar instructions in PDF]]
 +
 +==== Video recording from the webinar ====
 +
 +[[https://pairef.fjfi.cvut.cz/docs/pairef_poli_webinar/PAIREF_webinar_23Mar2021_.mp4|{{ ::pairef_webinar_2021-03_video.gif |}}]]
 +
  
 ===== Tutorial ===== ===== Tutorial =====
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 {{:ccp4console.gif?nolink|}} {{:phenix_command_prompt.gif?nolink|}} {{:ccp4console.gif?nolink|}} {{:phenix_command_prompt.gif?nolink|}}
  
-Now execute the following command that installs PAIREF on your computer: +Now execute the following commands that install PAIREF into CCP4 environment on your computer: 
-<code>ccp4-python -m pip install pairef --no-deps --upgrade --user</code>+<code> 
 +ccp4-python -m ensurepip --user 
 +ccp4-python -m pip install pairef --no-deps --upgrade --user 
 +</code>
  
 If the installation was not successful, please go through the section [[https://pairef.fjfi.cvut.cz/docs/installation.html#troubleshooting|Installation - Troubleshooting]] in our documentation. If the installation was not successful, please go through the section [[https://pairef.fjfi.cvut.cz/docs/installation.html#troubleshooting|Installation - Troubleshooting]] in our documentation.
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 07      2.10   2.00  49772   4021   12.38  98.51       0.3     0.1   16.989   17.721    4.963   0.027   0.008   0.2293 07      2.10   2.00  49772   4021   12.38  98.51       0.3     0.1   16.989   17.721    4.963   0.027   0.008   0.2293
 08      2.00   1.90  35920   4046    8.88  81.18       0.1     0.0   41.435   43.993   14.417  -0.132  -0.016   N/A</code> 08      2.00   1.90  35920   4046    8.88  81.18       0.1     0.0   41.435   43.993   14.417  -0.132  -0.016   N/A</code>
 +
 +===== Contact =====
 +
 +In case of any questions or problems, please do not hesitate and write us: [[martin.maly@fjfi.cvut.cz]].
 +
 +===== Further reading =====
 +
 +  * [[https://doi.org/10.1107/S2052252520005916|Paired refinement under the control of PAIREF. M. Maly, K. Diederichs, J. Dohnalek, P. Kolenko (2020) IUCrJ 7]] 
 +  * More information about //PAIREF// settings and possibilities are explained in the [[https://pairef.fjfi.cvut.cz/docs/|documentation]].
 +
 +  * Linking crystallographic model and data quality. P.A. Karplus & K. Diederichs (2012) Science 336:1030–3
 +  * Assessing and maximizing data quality in macromolecular crystallography. P.A. Karplus & K. Diederichs (2015) Cur. Op. in Str. Biology 34:60–68
 +  * Better models by discarding data? P.A. Karplus & K. Diederichs (2013) Acta Cryst. D59:1215–1222
 +
PAIREF

Table of Contents

  • Homepage
  • Documentation
    • Installation
    • Using PAIREF
    • Graphical interface
    • Troubleshooting
    • Description of functions
    • Tests
    • Credits
  • Workshops
    • Struktura 2024: Python
    • CCP4SW 2024: Lunchtime Byte
    • CCP4SW 2023: Lunchtime Byte
    • Webinar: March 2021
  • GitHub repository
  • PyPI repository