# Computational Structural Biology Lab

**Source**: http://www.csb.iitkgp.ac.in/applications/mol_layers/about.php
**Parent**: http://www.csb.iitkgp.ac.in/applications/mol_layers/main.php

### Department of Bioscience and Biotechnology Indian Institute of Technology Kharagpur

- [Home](http://www.csb.iitkgp.ac.in/)
- [Research](http://www.csb.iitkgp.ac.in/pages/research.php)
- [Publications](http://www.csb.iitkgp.ac.in/pages/publications.php)
- [Teaching](http://www.csb.iitkgp.ac.in/pages/teaching.php)
- Tutorials
  - [Python Tutorial](http://www.csb.iitkgp.ac.in/tutorials/python/python_index.php)
  - [Gromacs Tutorial](http://www.csb.iitkgp.ac.in/tutorials/gromacs/gromacs_index.php)
- Tools
  - [PRince](http://www.facweb.iitkgp.ac.in/~rbahadur/prince/home.html)
  - [Layers](http://www.csb.iitkgp.ac.in/applications/mol_layers/main.php)
  - [HotSPRing](http://www.csb.iitkgp.ac.in/applications/HotSPRing/main.php)
  - [NCodR](http://www.csb.iitkgp.ac.in/applications/NCodR/index.php)
  - [Nucpred](http://www.csb.iitkgp.ac.in/applications/Nucpred/index.php)
  - [pmiRScan](http://www.csb.iitkgp.ac.in/applications/pmiRScan/index.php)
  - [proRBR](http://www.csb.iitkgp.ac.in/applications/proRBR/index.php)
  - [Rotamers for RBPs](http://www.csb.iitkgp.ac.in/applications/RBP-Rotamer/rotamer.php)
  - [MetIoR](http://www.csb.iitkgp.ac.in/applications/MetIoR/index.php)
- Databases
  - [PMMLID](http://www.csb.iitkgp.ac.in/databases/miR_details/index.php)
  - [TFNRDv1.0](http://www.csb.iitkgp.ac.in/databases/TFNRDv1.0/tfnrd.html)
  - [ProRBR Dataset](http://www.csb.iitkgp.ac.in/applications/proRBR_dataset/proRBR.php)
- Benchmarks
  - [Protein-RNA Docking Benchmark version 3](http://www.csb.iitkgp.ac.in/applications/PRDBv3/PRDBv3.php)
  - [Protein-RNA Docking Benchmark version 2](http://www.csb.iitkgp.ac.in/applications/PRDBv2.php)
  - [Protein-RNA Docking Benchmark version 1](http://www.csb.iitkgp.ac.in/applications/benchmark.php)
  - [Protein-RNA Affinity Benchmark](http://www.csb.iitkgp.ac.in/applications/PRDBv3/Affinity.php)
- [Members](http://www.csb.iitkgp.ac.in/pages/members.php)
- Links
  - [Bioinformatics Centre](http://www.csb.iitkgp.ac.in/bioinformatics_centre/index.html)
  - [Homepage IITKGP](http://www.iitkgp.ac.in)
  - [Homepage Department of Biotechnology](http://www.bt.iitkgp.ac.in)
- [Contact](http://www.csb.iitkgp.ac.in/pages/contact.php)

### What is "Molecule as Layers"? [[Go to application]](http://www.csb.iitkgp.ac.in/applications/mol_layers/main.php)

1. Any biological molecule, that can be represented with three dimensional
   coordinates in space can be viewed as layers of atoms sitting on top of each other.
2. Layers is the algorithm that works on structure files represented in PDB format.
3. The above animation shows the molecule peeled into layers.
4. The protein in the animation is “Carbohydrate recognition domain” (PDB ID: 3ZSJ:A)
5. This protein is peeled into three layers.
6. The first structure is the native molecule (From left to right).
7. The layers that are coming out of these structures are hollow (their inside is empty, unlike the native structure).
8. *Sr* is the parameter that will help non-randomly sample the surface of the molecule.
9. Changing *Sr* from a default 1.52 Å (angstroms) will result in sampling and “Layers” algorithm will provide
   you with only one output i.e. the sampled surface (insted of layers, which is default).
10. Keep on increasing *Sr* you will get a much coarser version of molecular surface.

### [[Go to application]](http://www.csb.iitkgp.ac.in/applications/mol_layers/main)