How to Use Open Bable: A Chemical file format converter

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  • เผยแพร่เมื่อ 8 ก.พ. 2022
  • #OpenBabel #CADD #ComputerAidedDrugDesign #Bio_Informatics
    How to use Open Babel.
    An excellent open tool for chemical file format conversation
    openbabel.org/wiki/Category:In...
    To support Open Babel, please cite:O'Boyle, N.M., Banck, M., James, C.A. et al. Open Babel: An open chemical toolbox. J Cheminform 3, 33 (2011). doi.org/10.1186/1758-2946-3-33

ความคิดเห็น • 5

  • @jiaolee6158
    @jiaolee6158 ปีที่แล้ว +2

    That's nice, can you show us how to use obminimize to minimize a compound?

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  ปีที่แล้ว

      Thank you for watching our channel.
      Will update you soon.
      Follow for more updates.

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  ปีที่แล้ว +1

      Thank you for watching our channel.
      Here is the video to use obminimize th-cam.com/video/HVKmOyQHuqo/w-d-xo.html
      Follow for more updates.

  • @johnandrheyabordo644
    @johnandrheyabordo644 7 หลายเดือนก่อน +1

    I used Open Babel and converted my ligand from .sdf file to .pdb
    But when I used my ligand with .pdb format, problem arises while using AutoDock Tool. I can't seem to add Kollman Charges; it keeps telling me that there's an error. Unlike when I'm using .sdf format, AutoDock Tool is working.
    What do you think is the problem? Was there a problem while converting the file?

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  6 หลายเดือนก่อน +1

      Hi @johnandrheyabordo644,
      Thank you for watching my channel.
      As you correctly mentioned, sometimes there might be problem with conversion.
      On the other hand, check whether you have saved the converted files in correct format, because AutoDock can't read SDF format.