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ccsb-scripps / AutoDock-Vina

AutoDock Vina
http://vina.scripps.edu
Apache License 2.0
612 stars 211 forks source link

Vina #4

Closed ShwetaSC closed 3 years ago

ShwetaSC commented 3 years ago

Hello I have started working on multiple ligands docking while running sample data provided here. On Step Running autodock vina using autodock4 forcefield (--ligand 5x72_ligand_p59.pdbqt 5x72_ligand_p69.pdbqt --maps 5x72_receptor) I got the error mentioned below Command line parse error: unknown option maps Please help, what is wrong

jeeberhardt commented 3 years ago

Hi SchwetaSC,

Could you tell me which version of Vina are using? Executing the following command: vina --version should output something like this AutoDock Vina 1.2.0 (September 11, 2020). The --maps argument is only available for Vina >= 1.2.0.

Best, Jerome.

ShwetaSC commented 3 years ago

Hey

Thank you for the response, I have checked the older version (1.1.2) is installed on my PC. Please help from where I can install the latest version of vina.

One more query I have while running command

"vina --receptor 5x72_receptor.pdbqt --ligand 5x72_ligand_p59.pdbqt 5x72_ligand_p69.pdbqt"

Error : Command line parse error: too many positional options

Is this error is also associated with the older version?

Thank you

On Mon, May 17, 2021 at 10:22 PM Jérôme Eberhardt @.***> wrote:

Hi SchwetaSC,

Could you tell me which version of Vina are using? Executing the following command: vina --version should output something like this AutoDock Vina 1.2.0 (September 11, 2020). The --maps argument is only available for Vina >= 1.2.0.

Best, Jerome.

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ShwetaSC commented 3 years ago

Is it possible to run the program on the Windows system?

jeeberhardt commented 3 years ago

Hi,

You can get the latest version of the Vina binaries (linux and macOS) from here: https://github.com/ccsb-scripps/AutoDock-Vina/releases/tag/v1.2.0.dev3.

Yes, the previous version (1.1.2) does not handle multiple ligands.

We are not planning to release a version for Windows in the near future, sorry.

ShwetaSC commented 3 years ago

Jérôme Eberhardt thank you so much

jeeberhardt commented 3 years ago

You are welcome. Enjoy! ;-)