Basuh Baju

Monday, October 18, 2010


xtensible Markup Language (XML) is a set of rules for encoding documents in machine-readable form. It is defined in the XML 1.0 Specification, produced by the W3C, and several other related specifications, all gratis open standards. XML's design goals emphasize simplicity, generality, and usability over the Internet. It is a textual data format with strong support via Unicode for the languages of the world. Although the design of XML focuses on documents, it is widely used for the representation of arbitrary data structures, for example in web services.
Many application programming interfaces (APIs) have been developed that software developers use to process XML data, and several schema systems exist to aid in the definition of XML-based languages.
As of 2009, hundreds of XML-based languages have been developed, including RSS, Atom, SOAP, and XHTML. XML-based formats have become the default for most office-productivity tools, including Microsoft Office (Office Open XML), (OpenDocument), and Apple's iWork.

<?xml version="1.0" encoding=ISO-8859-1"?>
<Computational Method>
<Types="Molecular mechanics">
   <speed>Very Fast Speed</speed>
   <accuracy>Parameter Restiction</accuracy>

<Types="Semi Emperical">
<speed>Fast Speed</speed>
<accuracy>Good Accuracy</accuracy>

<Types="Ab initio">
<speed>Slow Speed</speed>
<accuracy>Very Good Accuracy</accuracy>

</Computational Method>

Computational Method
Molecular mechanicsSemi EmpiricalAb initio
Very Fast SpeedFast SpeedSlow Speed
Parameter RestrictionGood AccuracyVery Good Accuracy

For more details about XML,PLEASE CLICK THIS LINK!

Thursday, October 14, 2010

Protein Data Bank

A Resource for Studying Biological Macromolecules

The PDB archive contains information about experimentally-determined structures of proteins, nucleic acids, and complex assemblies. As a member of the wwPDB, the RCSB PDB curates and annotates PDB data according to agreed upon standards.
The RCSB PDB also provides a variety of tools and resources. Users can perform simple and advanced searches based on annotations relating to sequence, structure and function. These molecules are visualized, downloaded, and analyzed by users who range from students to specialized scientists.

PBDMolecular Description
moleculeATP-dependent protease La 1
Type polypeptide
BsLon, N-terminal domain
Scientific NameBacillus Subtilis

want to know more?click here

Monday, October 11, 2010


What is SMILE?

The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.
These are a few example of smiles with the molucular names:

O=C=Ocarbon dioxide
[2H]O[2H]deuterium oxide

External Link :showing the smiles information

Sunday, October 10, 2010


Microsoft Excel (full name Microsoft Office Excel) is a spreadsheet application written and distributed by Microsoft for Microsoft Windows and Mac OS X. It features calculation, graphing tools, pivot tables and a macro programming language called VBA (Visual Basic for Applications). It has been a very widely applied spreadsheet for these platforms, especially since version 5 in 1993. Excel forms part of Microsoft Office. The current versions are Microsoft Office Excel 2010 for Windows and 2008 for Mac.

ExcelStandard File Extension
Format Extension Main spreadsheet format which holds data in worksheets, charts, and macros
Toolbar .xlbThe file extension where Microsoft Excel custom toolbar settings are stored.
Chart .xlcA chart created with data from a Microsoft Excel spreadsheet that only saves the chart. To save the chart and spreadsheet save as .XLS. >XLC is not supported in Excel 2007.
Archive .xlkA backup of an Excel Spreadsheet

for more information,please log on to:


 ACD/ChemSketch ACD/ChemSketch is a chemical drawing software package from Advanced Chemistry Development, Inc. designed to be used alone or integrated with other applications. ChemSketch is used to draw chemical structures, reactions and schematic diagrams. It can also be used to design chemistryrelated reports and presentations. ACD/ChemSketch has the following major capabilities: · Structure Mode for drawing chemical structures and calculating their properties. · Draw Mode for text and graphics processing. · Molecular Properties calculations for automatic estimation of: * molecular weight; * percentage composition; * molar refractivity; * molar volume; * parachor; * index of refraction; * surface tension; * density; * dielectric constant; and * polarizability. ACD/ChemSketch can stand alone as a drawing package or act as the “front end” to other ACD software such as the NMR Predictor engines.

The Guideline in Chemsketch

1.introduction2.installing Chemsketch
3.drawing the first molecule4.3D application structure
5.more basic future in chemsketch6.more templates(Lewis Structure)

for more details,please click: