Computational Chemistry Tutorial

Marvin Sketch Tutorial 1
This tutorial tells how to start with Marvin Sketch. How to draw desired 
molecule. How to display into different modes like ball & stick. How
to geometry optimize & view the energy parameters. How to save
a desired molecule in different formats.
Tutorial by:- Sajeev R, Dr. UC Jaleel 

WebMO Tutorial 1

This tutorial tells how to built a molecule in WebMO interface.

How to verify experimental results with computational model.

Tutorial By:- Jinuraj Kr, Dr. UC Jaleel

WebMO Tutorial 2

This tutorial is about Geometry optimization of a given molecule.

& Development of Computational NMR spectra.

Tutorial By:- Jinuraj Kr., Dr. UC Jaleel

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How can we Convert one molecule

format into Another Format

Tutorial by:- Jinuraj Kr., UC Jaleel

 

Marvin Sketch Tutorial - 2

This tutorial is about how to generate sterio Isomers (R-S,E-Z, Tautomers).

Tutorial by:- Sajeev R, Dr. UC Jaleel

OSDD Chemical file format, Introduction - 1

This tutorial provides general information about different

chemical file formats like pdb, sdf, SMILS etc.

Tutorial By:- Dr. UC Jaleel

OSDD Chemical File Format - SMILES

This tutorial tells about various line notation with a special 

emphasis on SMILES notation 

Tutorial by:-  Dr. UC Jaleel