Python Scripting for Molecular Docking: Docking with AutoDock Vina

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  • เผยแพร่เมื่อ 25 ธ.ค. 2024

ความคิดเห็น • 3

  • @KamalSingh-dn7gv
    @KamalSingh-dn7gv 2 หลายเดือนก่อน +1

    This is a great video. Would it be possible to post the whole code in the description? Thank you.

  • @fittycrame5752
    @fittycrame5752 19 วันที่ผ่านมา

    When we do docking, at the terminal, it said: "swig/python detected a memomry leak of type 'BHtree', no destructor found", and then my docking stopped half way. What does that mean? And what should i do? I'm using windows 11, 64-bit system.

  • @istiaqansari4321
    @istiaqansari4321 หลายเดือนก่อน

    after converting pocketcenter and ligand box to list, you say we already have pdbqt files. but never showed how you created those. I saved pdbqt using rdkit but vina doesn't accept the protein's pdbqt file with "PDBQT parsing error: Unknown or inappropriate tag found in rigid receptor" error but it accepts the ligand. Any help would be appreciated.