AutoDock-Vina

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Logic setting for simultaneous docking of multiple ligands

1

Hello, I am using Vina version 1.2.5 to process docking of multiple phenolic acid compounds and enzymes. I have encountered the following problems and would appreciate answers! 1. both active...

Tang-Rich

autodocking tools

1

Hello ! I am trying to run autodock vina, I have this txt file: # Define the receptor and ligand files receptor = ab.pdbqt ligand = antigen.pdbqt # Output file...

yahiamoualla

`!pip install vina` failed in Google Colab, with a Linux Python 3 Google Compute Engine backend

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The installation was attempted from [Google Colaboratory](https://colab.research.google.com/), following a similar procedure to [this](https://stackoverflow.com/questions/55253498/how-do-i-install-a-library-permanently-in-colab). `!pip install vina` gives ``` Collecting vina Downloading vina-1.2.5.tar.gz (89 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 89.5/89.5 kB 2.0 MB/s eta...

rwxayheee

ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects

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Collecting vina Using cached vina-1.2.5.tar.gz (89 kB) Installing build dependencies ... done Getting requirements to build wheel ... done Preparing metadata (pyproject.toml) ... done Requirement already satisfied: numpy>=1.18 in /usr/local/lib/python3.10/dist-packages...

Super-dong94

Question About Binding Free Energy in Multi-Ligand Docking with Vina

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Hello everyone, I'm currently using Vina for docking multiple ligands and have a question about the output. Does the binding free energy reported by Vina take into account the interaction...

Liekkas-Li

Preview of the edited doc: https://rwxayheee-autodock-vina.readthedocs.io/en/latest/ Some updates are made to the existing tutorials to incorporate v0.6.0 changes in meeko. In the following 3 tutorials: - Basic docking - Flexible...

rwxayheee

Update docs for meeko v0.6 which includes receptor prep

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diogomart

Installing Windows version (vina_1,2.5_win) with a glitch

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I am trying to install vina_1.2.5_win, and the program seems to open briefly but then does not. Would you have an idea what I could do about it? Thanks

fahoffmannsarda

Spacing function in Autodock Vina

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Hello, In old versions of Vina there was no option to set spacing value when docking was being done (default was 1 as per manual). As per manual, we used...

adilsaeed45

Is there any command for installing conda in linux system

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Hello, I am trying to install Autodock Vina on a Linux system, but I don't have root privileges, so I cannot perform a source code installation. Is there a command...

WW-web-ctrl