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workshop:dft-cs [2026/02/04 14:24] – created zhangykworkshop:dft-cs [2026/02/04 14:52] (current) zhangyk
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 ^ Info ^ Content ^ ^ Info ^ Content ^
 | Title | Use DFT to calculate chemical shift | | Title | Use DFT to calculate chemical shift |
-| Speaker | Yi Xue |+| Speaker | Prof. Xue |
 | Date | 20260331| | Date | 20260331|
-| Video | {{ workshop:ws-20260131-yxue-dftcs1-plot_RNA_SS.mp4 }} | +| Video | 1. Scripts to plot RNA secondary structure {{ workshop:ws-20260131-yxue-dftcs1-plot_RNA_SS.mp4 }} 2. Python package `pdblib` {{ workshop:ws-20260131-yxue-dftcs2-pdblib.mp4 }} 3. Use package `pycs` to do spherical sampling {{ workshop:ws-20260131-yxue-dftcs3-pycs-sampling.mp4 }} 4. Chemical shift for 19F labeled RNA triplet{{ workshop:ws-20260131-yxue-dftcs4-DFT_RNA.mp4 }} | 
-| Attachments |  |+| Attachments | {{ workshop:ws-20260131-yxue-dftcs.docx | Readme }}  |
  
workshop/dft-cs.1770215049.txt.gz · Last modified: 2026/02/04 14:24 by zhangyk