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webinar_2021-03 [2021/03/19 15:55]
maly CC*
webinar_2021-03 [2021/03/24 10:09] (current)
maly video
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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
 +