RDKit [1] allows performing multiple functions on chemical compounds. One is the quantitative estimation of drug-likeness also known as QED properties. These properties include molecular weight...
PyVOL [1] is an excellent plugin of Pymol [2] for pocket visualization of proteins. In this article, we will install the PyVOL plugin in Pymol on...
You can obtain SMILES of multiple compounds or ligands in an SDF file in one go. Here, we provide a simple Python script to do that.
Here is a video tutorial for performing self-organizing maps in MATLAB [1].
We previously provided a Python script to calculate the Tanimoto similarities of multiple compounds against each other. In this article, we are providing another Python script...
In this article, we are going to download FASTA sequences for multiple structures from PDB [1]. We need to have PDB IDs only for input.
Most of the examples that demonstrate the SOM analysis use the default Iris dataset. It is also mentioned in the SOM example of MATLAB that for...
RDKit [1] is a very nice cheminformatics software. It allows us to perform a wide range of operations on chemical compounds/ ligands. We have provided a...
The self-organizing map (SOM) sample hits plot in the Matlab [1] shows the number of inputs in the neurons but one would be interested in knowing...
While trying to install Matlab [1], it generally gives an error stating “matlab: command not found.”. Here, we provide a solution to this error.
