How to install ConfID: Conformational Identifier
on Kubuntu

ConfID: Conformational Identifier

ConfID: Conformational Identifier

Bruno Iochins Grisci (bigrisci)

Analytical method for conformational characterization using molecular dynamics

Conformational generation is a recurrent challenge in early phases of drug design, mostly due to the task of making sense between the number of conformers generated and their relevance for biological purposes. In this sense, ConfID, a Python-based computational tool, was designed to identify and characterize conformational populations of drug-like molecules sampled through molecular dynamics simulations. By using molecular dynamics (MD) simulations (and assuming accurate parameters are used), ConfID can identify all conformational populations sampled in the presence of solvent and quantify their relative abundance, while harnessing the benefits of MD and calculating time-dependent properties of each conformational population identified. To read a complete ConfID documentation and tutorials, access: https://github.com/sbcblab/confid

Details for ConfID: Conformational Identifier

License
LGPL-3.0
Last updated
6 November 2019

Enable snaps on Kubuntu and install ConfID: Conformational Identifier

Snaps are applications packaged with all their dependencies to run on all popular Linux distributions from a single build. They update automatically and roll back gracefully.

Snaps are discoverable and installable from the Snap Store, an app store with an audience of millions.

Enable snapd

If you’re running Kubuntu 16.04 LTS (Xenial Xerus) or later, including Kubuntu 18.04 LTS (Bionic Beaver) and Kubuntu 18.10 (Cosmic Cuttlefish), you don’t need to do anything. Snap is already installed and ready to go.

Versions of Kubuntu between 14.04 LTS (Trusty Tahr) and 15.10 (Wily Werewolf) don’t include snap by default, but snap can be installed from the command line as follows:

sudo apt update sudo apt install snapd

Install ConfID: Conformational Identifier

To install ConfID: Conformational Identifier, simply use the following command:

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