autodock-vina-1.2.3

AutoDock Vina is a turnkey computational docking program that is based on a simple scoring function and rapid gradient-optimization conformational search.

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FROM ubuntu:20.04

RUN apt-get update \
    && apt-get upgrade --yes \
    && apt-get install --yes --no-install-recommends \
    wget \
    && apt-get clean \
    && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*

WORKDIR /opt

RUN wget --no-check-certificate https://github.com/ccsb-scripps/AutoDock-Vina/releases/download/v1.2.3/vina_1.2.3_linux_x86_64 \
    && chmod +x vina_1.2.3_linux_x86_64

RUN ln -s /opt/vina_1.2.3_linux_x86_64 /usr/local/bin/vina

biodockerfiles

autodock-vina-1.2.3