How To Install simsearch on Fedora 34
In this tutorial, we will discuss How To Install simsearch on Fedora 34
yum package managers.
Also, we will demonstrate how to uninstall and update
simsearch as well.
If you are only interested in the installation command, here is a quick answer for you:
or if you use
sudo yum makecache && sudo yum -y install python-chemfp
sudo dnf makecache && sudo dnf -y install python-chemfp
But if you are interested in the details with step-by-step instructions, the following information will be helpful.
Short description: cheminformatics fingerprints file formats and tools
First things first, you will need access to a server or computer running Fedora 34. This guide was written specifically with a server running Fedora 34 in mind, although it should also work on older, supported versions of the operating system.
Also, make sure you are running a regular, non-root user with sudo privileges configured on your server. When you have an account available, log in as your non-root user to begin.
There are several ways to install simsearch on Fedora 34. You can use (links are clickable):
In the following sections, we will describe each method in detail. You can choose one of them or refer to the recommended one.
First, update dnf packages database with
dnf by running the next command:
sudo dnf makecache --refresh
After updating database,
You can install simsearch using
dnf by running the
sudo dnf -y install python-chemfp
Because simsearch is available in Fedora 34’s default
it is possible to install it from these repositories using the
To begin, update local packages database with
yum using the following command.
sudo yum makecache --refresh
Now can install simsearch package on your server/computer by running the following command:
sudo yum -y install python-chemfp
To update all the packages available on the system:
If you want to update a specific package like simsearch in this example you should use the following command:
yum update python-chemfp
To downgrade a package to an earlier version:
yum downgrade python-chemfp
When you run the
dnf update, all system packages with available updates are updated.
However, if you want to upgrade a single package, then you would have to pass the package name as
the argument to the dnf update command.
dnf update python-chemfp
To uninstall only the
simsearch package you can execute
sudo dnf remove python-chemfp
Chem-fingerprints is a set of formats and related tools for the storage, exchange, and search of cheminformatics fingerprint data sets. It translates fingerprints from the OpenBabel and RDKIT and cheminformatics packages (as well as the proprietary OEChem package) into the binary FPS format. Besides Python modules, it provides the following tools: * sdf2fps - Extract fingerprint data from SD tags * ob2fps - Use OpenBabel to generate fingerprints from structures * rdkit2fps - Use RDKit to generate fingerprints from structures * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches between two FPS files
You now have a full guide on how to install
yum package managers.
Also, we showed how to update manually as a single package and different ways to uninstall
the simsearch from Fedora 34.