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feat/docs/cases: Covalent Bond Input #329

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feat/docs/cases: Covalent Bond Input #329

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Commits on Aug 29, 2024

  1. feat: ligand: support obable readable files 

    drop: buildin logger

fix: template try-except bugs

fix: output logs

refactor: deduplicate code

fix: hetatm input raise from smiles

fix: hetatm input raise and dialognoses

docs&cases: covalent bonds

feat: covalent bond

fix: covalent bond

add: use_3d opt for ligand
    @YaoYinYing
    YaoYinYing committed Aug 29, 2024
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  2. cases: P450

    @YaoYinYing
    YaoYinYing committed Aug 29, 2024
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  3. doc/case: P450

    @YaoYinYing
    YaoYinYing committed Aug 29, 2024
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  4. doc: removal of yaml msg 

    This reverts commit 561a0af.
    @YaoYinYing
    YaoYinYing committed Aug 29, 2024
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Commits on Sep 6, 2024

  1. case: isopeptide

    @YaoYinYing
    YaoYinYing committed Sep 6, 2024
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  2. case: phosphorylated ubiquitin

    @YaoYinYing
    YaoYinYing committed Sep 6, 2024
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