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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 | ||
+ |