The tutorials in series are created using Avogadro version 1.1.1 on Ubuntu 14.04. Avogadro is a free and open source, advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, bioinformatics, etc. It offers flexible high quality rendering. Read more
Foss : Avogadro - English
Outline: How to configure Avogadro Show Intermolecular hydrogen bonding Show Intramolecular hydrogen bonding Measure length of hydrogen bonds Show Force display type in water molecul..
Outline: Proton transfer in compounds by changing pH values Load crystal structures from Crystal library Explain about Miller indices and planes Show various Miller planes in crystal sy..
Outline: Define stereoisomerism Define conformational isomerism Show conformations of 1,2-dichloroethane Show conformations of cyclohexane Define geometrical isomerism Demonstrate geom..
Outline: * Prepare input files for computational chemistry programmes such as: GAMESS, Gaussian, MOPAC, NWChem etc. * View Molecular orbitals and calculated IR spectrum using output..
Foss : BASH - English
Outline: Introduction to BASH Shell Scripting The bash shell Bash Shell Script
Outline: Basics of Shell Scripting System variables User defined variables Accepting user input via keyboard
Outline: Command Line arguments and quoting Command Line arguments Single quote Double quote Backslash
Outline: Globbing and export statements Globbing The export statement
Outline: Array Operations in BASH Declaring an Array and Assigning values Initializing an Array during declaration To find length of Bash Array and length of nth element ..
Outline: More on Arrays Extraction of Array elements Search and replace in an Array element To Add an element to an Array To remove an Element from an Array Shell..
Outline: Conditional execution Test Syntax of test if...then Bash script example for if...then if...then...else...if if-else with a password program
Outline: More on If loops Nested if Nested if with flowgraph Nested If-else with Name and Password verification program Multilevel if-then-else Multilevel if-then..
Outline: Logical Operations Logical AND syntax Logical AND workflow Logical OR Logical OR workflow Logical OR and AND with string comparison program Logical ..
Outline: Bash comparison- Arithmetic comparison Arithmetic comparison -eq(equal to) -ne(not equal to) Demonstration of -eq and -ne with a word count program(Used: `wc ..
Outline: String and File Attributes comparison in BASH String comparison String comparison using == operator String comparison using != operator Simple program of us..
Outline: Conditional Loops The for loop statement for loop with three expression syntax for loop with sequence/range syntax flow of for loop program The while loo..
Outline: More on Loops A loop within a loop Outer for loop Nested for loop Inner for loop Syntax of nested for loop Finding files in the directories using ne..
Outline: Case statement in BASH Importance of case statement Syntax of case(With both single and multiple options) Work-flow of case statement Creating menus using cas..
Outline: Using File Descriptors Introduction on fd Assign the file descriptor (fd) to file for output(exec fd > filename) Explained using an example of 'date'..
Outline: Basics of functions Writing your first shell function Displaying functions Writing functions Function defintion Calling functions Workflow of functi..