In India, Bioinformatics has high hopes as it is still in nascent field. The growth of this field is also dependent on growth of Biotechnology.
There are a lot of big bioinformatics companies in India that hire bioinformaticians. Some of them include Accelerys, Jubilant etc.
Complete list can be found by clicking here.
in 2010-11, Indian bioinformatics market was valued at US$58 Million While it was expeccted to grow by 25% in 2015.
In a market that require a large number of trained professionals, Bioinformatics can be a good choice.
How to obtain ligand structures in PDB format from PDB ligand IDs?
cheML.io: ML-generated molecules database
Due to the advancement of machine learning (ML) methods, we can find increasing applications of them in the field of bioinformatics as well. ML is being utilized in making personalized medicines, similarity searches in DNA and protein sequences, phylogenetics by mapping selected species on phylogenetic trees, gene and protein function annotation, generating chemical compounds, and so on. In this article, we will discuss an online database of ML-generated molecules known as cheML.io .
How to obtain SMILES of ligands using PDB ligand IDs?
Fetching SMILE strings for a given number of SDF files of chemical compounds is not such a trivial task. We can quickly obtain them using RDKit or OpenBabel. But what if you don’t have SDF files of ligands in the first place? All you have is Ligand IDs from PDB. If they are a few then you can think of downloading SDF files manually but still, it seems time-consuming, especially when you have multiple compounds to work with. Therefore, we provide a Python script that will read all Ligand IDs and fetch their SDF files, and will finally convert them into SMILE strings. (more…)