install rdock ubuntu under conda environment

rdock-conda-install.sh

# install miniconda, then:

# create new environment
conda create -n docking-rdock

# activate it!
conda activate docking-rdock


# add channels
conda config --add channels defaults
conda config --add channels bioconda
conda config --add channels conda-forge

# install rdock
conda install -c bioconda rdock



$ rbdock 
***********************************************
The rDock program is licensed under GNU-LGPLv3.0. http://rdock.sourceforge.net/
Executable:     rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)
Library:        libRbt.so/2013.1/901 2013/11/27
RBT_ROOT:       /home/filips/miniconda2/envs/docking-rdock/share/rdock-2013.1-1
RBT_HOME:       /home/filips
Current dir:    /home/filips
Date:           Mon Dec 23 20:47:22 2019
***********************************************

Usage:
rbdock -i <sdFile> -o <outputRoot> -r <recepPrmFile> -p <protoPrmFile> [-n <nRuns>] [-ap] [-an] [-allH]
       [-t <targetScore|targetFilterFile>] [-c] [-T <traceLevel>] [-s <rndSeed>]

Options:        -i <sdFile> - input ligand SD file
                -o <outputRoot> - root name for output file(s)
                -r <recepPrmFile> - receptor parameter file 
                -p <protoPrmFile> - docking protocol parameter file
                -n <nRuns> - number of runs/ligand (default=1)
                -ap - protonate all neutral amines, guanidines, imidazoles (default=disabled)
                -an - deprotonate all carboxylic, sulphur and phosphorous acid groups (default=disabled)
                -allH - read all hydrogens present (default=polar hydrogens only)
                -t - score threshold OR filter file name
                -c - continue if score threshold is met (use with -t <targetScore>, default=terminate ligand)
                -T <traceLevel> - controls output level for debugging (0 = minimal, >0 = more verbose)
                -s <rndSeed> - random number seed (default=from sys clock)

A new way to install rxdock, a fork of rdock:

# create new environment
conda create -n docking-rdock

# activate it!
conda activate docking-rdock

# install
conda install -c bioconda rxdock

# run!

$ rdock

***********************************************
The RxDock molecular docking program is licensed under GNU LGPL version 3.
RxDock is maintained by Vedran Miletić, Patrik Nikolić, and Luka Vretenar.
Visit https://www.rxdock.org/ for more information.
Executable:     rbdock/0.1.0
Library:        librxdock.so/0.1.0
RBT_ROOT:       /home/filips/miniconda2/envs/docking-rdock/share/rxdock-2013.1.1_148c5bd1-1
RBT_HOME:       /home/filips
Current dir:    /home/filips/progs/rdock/bin
Date:           Wed Jun 10 10:33:16 2020
***********************************************
Missing required parameter(s): -i, -r, or -p