PdbqtTools is a program to extract models from a PDBQT-file.
PdbqtTools was build 2023 by Kristian Schultz k.schultz@mail.de. It is free to use. See LICENSE for details.
Lists all model in the given file.
PdbqtTools -l example.pdbqtExtracts all model in the given file.
PdbqtTools example.pdbqtExtracts only the model with the name 'myModel' from the given file.
PdbqtTools example.pdbqt -m "myModel"Extracts only the model with the name 'myModel' or 'yourModel' from the given file.
PdbqtTools example.pdbqt -m "myModel" -m "yourModel"PdbqtTools [--help] [-q] [-e | --extract] [-l | --list] [-m | --model] [--] [inputFileName]
| Parameter | Description |
|---|---|
| --help | Shows the help message. |
| -q | Be lesser verbose. |
| -e or --extract | Extract all or selected models from the given files. |
| -l or --list | List all models in the given files. |
| -m or --model | Model name to extract. Multiple models might be given. |
| -- | All parameter after this are interpreted as inputFileName. |
| inputFileName | PDBQT file with models to extract. |
You need GHC 8.8 and Cabal for compiling. Both you will find here: https://www.haskell.org/ghcup/
cabal configure
cabal build
cabal install