How To Install ob2fps on CentOS 8

In this tutorial, we will discuss How To Install ob2fps on CentOS 8 using dnf and yum package managers. Also, we will demonstrate how to uninstall and update ob2fps as well.

One-liner Install Command

If you are only interested in the installation command, here is a quick answer for you:

sudo yum makecache && sudo yum -y install python-chemfp
or if you use dnf:
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.

What is ob2fps and How to Install It?

First things first, you will need access to a server or computer running CentOS 8. This guide was written specifically with a server running CentOS 8 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 ob2fps on CentOS 8. 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.

Install ob2fps on CentOS 8 using dnf

First, update dnf packages database with dnf by running the next command:

sudo dnf makecache --refresh

After updating database, You can install ob2fps using dnf by running the following command:

sudo dnf -y install python-chemfp

Install ob2fps on CentOS 8 using yum

Because ob2fps is available in CentOS 8’s default repositories, it is possible to install it from these repositories using the yum packaging system.

To begin, update local packages database with yum using the following command.

sudo yum makecache --refresh

Now can install ob2fps package on your server/computer by running the following command:

sudo yum -y install python-chemfp

How to upgrade (update) a single package ob2fps using yum?

To update all the packages available on the system:

yum update

If you want to update a specific package like ob2fps 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

How to Upgrade ob2fps on CentOS 8 with dnf?

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

How To remove ob2fps from CentOS 8

To uninstall only the ob2fps package you can execute the following command:

sudo dnf remove python-chemfp

Extra info and code examples

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

Conclusion

You now have a full guide on how to install ob2fps using dnf and yum package managers. Also, we showed how to update manually as a single package and different ways to uninstall the ob2fps from CentOS 8.

See also:

How To Install ob2fps on CentOS 8

How To Install ob2fps on Ubuntu 22.04

How To Install ob2fps on Kali Linux

How To Install ob2fps on Debian 11

How To Install ob2fps on Fedora 34

How To Install ob2fps on Ubuntu 21.04

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