fatal error in autodock

fatal error in autodock

1

Hlo everyone
i am facing fatal error when i am running autoduck4. please suggest me how i can fix this error

C:/Users/Public/Autodocking/autodock4: FATAL ERROR: C:/Users/Public/Autodocking/autodock4: ERROR: All ATOM and HETATM records must be given before any nested BRANCHes; see line 25 in PDBQT file “ligand.pdbqt”.
C:/Users/Public/Autodocking/autodock4: Unsuccessful Completion.


error


Autodock

• 217 views

You are not being very helpful to us. Any time your problem is explained in a single sentence or two, chances are that you didn’t provide enough detail to help us help you.

Some basic things: what is the command you entered when the error occurred? Did you look into your ligand file?

ERROR: All ATOM and HETATM records must be given before any nested BRANCHes; see line 25 in PDBQT file “ligand.pdbqt”.

This is a pretty clear error message – it says that ATOM lines must come before BRANCH lines. Is that the case in your ligand file, and if not, how did you make that file?

If you actually did all of this (the error is clear as to which file is wrong) and entered the required information in your question, we’d be answering it instead of breaking down the error message word by word.


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