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
That's nice, can you show us how to use obminimize to minimize a compound?
Thank you for watching our channel.
Will update you soon.
Follow for more updates.
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.
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?
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.