Wednesday, October 20, 2010

XML



XML is a meta-language for describing markup languages. In other words, XML provides a facility to define tags and the structural relationships between them. XML is different with HTML as XML was designed to transport and store data, with focus on what data is. Meanwhile, HTML was designed to display data, with focus on how data looks. XML is often used to simplify data storage.

Below are the exercise that I did:
XML Tree
:

XML Table
Medicine
Science
Pathology
Bio Medicine
32 Students
100 Students
40 Staff
50 Staff
HTAA
Gombak



XML Documentations
<University>
<Faculty category="Medicine">
<Department>Pathology</Department>
<Students>32 Students</Students>
<Staff>40 Staffs</Staff>
<Location>HTAA</Location>
</Faculty>

<Faculty category="Science">
<Department>Bio Medicine</Department>
<Students>100 Students</Students>
<Staff>50 Staffs</Staff>
<Location>Gombak</Location>
</Faculty>
</University>



To know more about XML, please click here
Or you can click here to have some XML tutorial.

Wednesday, October 13, 2010

Excel

Microsoft Excel is a spreadsheet application which can be use to calculate and distribute data, create chart and graph. It has function to calculate mathematical equations, statistics, engineering and financial equation. It allowed user to insert the mathematical equation and Microsoft Excel will help user to calculate the answer. This function is called Visual Basic for Applications.

Microsoft Excel can generate chart and histogram. The chart can be embedded in the same spreadsheet or as a separate object. Below are the example of the chart that I have created with the help from Microsoft Excel.

Concentration vs Absorbance Graph
Acid-Base titration chart

Temperature vs Percentage of Injured Chart

Housing vs Year Chart

From the above pictures, we can see Microsft Excel is really helpful to us if we want to generate chart from the data given. By using Microsoft Chart, can also calculate and predict the data. For example, in Housing vs Chart above, I want to predict the number of house in year 2001. By using Visual Basic for Applications, I inserted the mathematical formula and Microsoft Excel help me to calculate the answer.


Microsoft Excel Microsoft Word

Can generate chart easily

Require several steps to generate chart
Can calculate answer for Mathematics questions Cannot calculate answer for mathematics questions
Have Visual Basic Applications
Do not have Visual Basic Applications


If you want to know more about Microsoft Excel, please click here.

Interested to learn how to use Microsft Excel, please click here.

Chem Sketch

ACD Chem Sketch is a software that allowed us to draw any chemical structure including organic and inorganic, polymer and even laboratory apparatus. In Chem Sketch, we can choose to either use the "structure" or "draw". In "structure", we can draw many chemical structure like the one that have been said in post SMILES before. In "draw", we can draw many diagrams including DNA protein and even laboratory apparatus.


We can use Chem Sketch to draw energy diagram.







Example of orbitals





The best part of Chem Sketch; drawing laboratory apparatus


DNA strand can be draw too!


The beautiful lipid structure!





Chemsketch What we can do?
Draw Draw energy diagram, orbitals, laboratory apparatus.
Structure Draw chemical structure


Chem Sketch is really helpful to us!


Get to know more about Chem Sketch by clicking here.

Want a tutorial on how to draw chemical structure? Please click here.





Protein Data Bank


The protein Data Bank contains information about experimentally-determined structures of proteins, nucleic acids, and complex assemblies. These are the molecules that are found in living things such as bacteria, yeast, fungi and even human. The data are obtained from  X-ray crystallography or NMR spectroscopy. X-Ray crystallography is a method of determining the arrangement of atom in a structure. The data typically sent by scientists all over the world are freely accessible by public. We can use this Protein Data Bank to help us to understand the genomic microbiology.

RasMol is a computer program written for molecular graphics visualization intended. RasMol can be used to depict and explore the macromolecules structure in the Protein Data Bank. By using RasMol, we can view the structure of the molecules using several types of display and colours. As an example, the protein below is being view by using cartoon display.



From the Protein Data Bank, we can get information about the compound of the protein and some additional explanation about the protein. We also can know the author of the structure and the date of the structure is released.  For the above picture, the author of the protein is Duman R.E and Lowe J.Y and it is being published on 30tth June 2010. The above picture shows lon ATP dependent protease. This structure play important role in controlling the protein quality. 



This is lon ATP view by using ball and stick display




To know more about... Please click the link
Protein Data Bank Here
RasMol Here






Wednesday, October 6, 2010

SMILES


SMILES (Simplified Molecular Input Line Entry System) is a line notation (a typographical method using printable characters) for entering and representing molecules and reactions.

SMILES supports all elements in the periodic table. An atom is represented using its respective atomic symbol. Upper case letters refer to non-aromatic atoms; lower case letters refer to aromatic atoms.

c1ccccc1  is Benzene (aromatic compounds) 
C1CCCCC1 is Cyclohexane (aliphatic or non-aromatic compound)
 

Slide 2


Single, double, triple, and aromatic bonds are represented by the symbols -, =, #, and :, respectively.

single                   -
double                   =                      

                           



Slide 3

Configuration around double bonds is specified by the characters / and \ which are "directional bonds" and can be thought of as kinds of single or aromatic (eg. default) bonds.


Slide 4


Slide One SMILES notation
C=CC\C=C\O
CCN(CC)CC
CC(C)C(=O)O
CC(C)C(CCC)C(CCC)C=C

Want to know more about SMILES?


Happy SMILING!