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workshop:dft-cs
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| workshop:dft-cs [2026/02/04 14:32] – zhangyk | workshop: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 | 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 RNA triplet{{ workshop:ws-20260131-yxue-dftcs4-DFT_RNA.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 | {{ workshop:ws-20260131-yxue-dftcs.docx | Readme }} | | | Attachments | {{ workshop:ws-20260131-yxue-dftcs.docx | Readme }} | |
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workshop/dft-cs.1770215573.txt.gz · Last modified: 2026/02/04 14:32 by zhangyk