ADL: ligand structure is getting broken

abhisek Mondal abhisek.mndl at gmail.com
Wed Jan 24 01:43:02 PST 2018


Hi,

I'm trying to dock a ligand with a DNA. But whenever I'm saving the pdbqt
file of the ligand from AutoDockTools, the chain is getting broken. I'm not
being able to understand what wrong is happening in this step.

Please help me out here.
Ligand file: https://drive.google.com/file/d/1sTiu2KEcfVwQBqXqibCCY0q0jh023
7dl/view?usp=sharing

Image file of broken .pdbqt:
https://drive.google.com/file/d/1UXuTbRwNA_-AaAfEagLmgItzjgF3i5wp/view?
usp=sharing


Thank you.

-- 
Abhisek Mondal

*Senior Research Fellow*

*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*

*Kolkata 700032*

*INDIA*


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