Dear Olayinka,

I find the best page for you and by this most of the people solves their problems.

For Pyrx: https://bioinformaticsreview.com/20201017/installing-pyrx-on-ubuntu/

and this link might be helpful for you to install Discovery studio: https://extras.csc.fi/biosciences/DS/share/htmldoc/Install/DSVisualizer/inst_linux_install.html

Thanks Shaban Ahmad I have accessed that site before now, but the solution there did not work for me.

Maybe you can check with the configuration—also, your post what error you are facing during installation.

If everything is well and configured and still you face the problem, go with OS reinstallation.

For Pyrx, you can install Wine program in Ubuntu, and then you need to download the Windows exe file for pyrx, by using the Wine commands you can install the exe in the same as for windows.

Shaban Ahmad

The mentioned webpage is not free of charge, though its admins use free tutorials on the internet to build its content. However, you can use the following commands to install the requested tools.

#Discovery Studio

cd ~/Downloads

wget https://www.3ds.com/fileadmin/PRODUCTS-SERVICES/BIOVIA/BIOVIA_Visualizer/BIOVIA_2021.DS2021Client.bin

sh BIOVIA_2021.DS2021Client.bin

#PyRX

cd ~/Downloads

wget https://telkomuniversity.dl.sourceforge.net/project/pyrx/0.9/pyrx-0.9.2-linux-x86_64.tar.gz

tar -xzvf pyrx-0.9.2-linux-x86_64.tar.gz

cd PyRx ./run.sh

Rasouli H. Hi!

whenever I run this last command "cd PyRx ./run.sh" it gives an error ""import error:libpng12.so.0=cannot open shared object file: No such file or directory". Do you know how to solve this? it will be very helpful thanks

Dear Misbah Naseem

Thank you very much for your message. The mentioned error is due to the lack of libpng12 library on your Ubuntu OS. Please use the following commands to install it.

wget -q -O /tmp/libpng12.deb http://mirrors.kernel.org/ubuntu/pool/main/libp/libpng/libpng12-0_1.2.54-1ubuntu1_amd64.deb \ && dpkg -i /tmp/libpng12.deb \ && rm /tmp/libpng12.deb

If you still cannot install PyRx, try to check the version of your installed python with the python requirements of PyRx. This can solve the problem simply. You can also use Anaconda to run and install PyRx for virtual screening. You can find it in the following link:

https://anaconda.org/menpo/pyrx/files

Rasouli H. thank you so much for your kind help. Let me try this if still not working I will come back to you.

Dear Misbah Naseem

My pleasure. I hope all the best for you.

Misbah Naseem Olayinka Sunday Okoh

To run PyRx on Ubuntu, first run the following commands one by one:

sudo add-apt-repository ppa:linuxuprising/libpng12

sudo apt update

sudo apt install libpng12-0

Then cd to the PyRx folder (eg. cd PyRx)

Finally execute it with:

./run.sh