The Protein Data Bank (PDB) is a repository for the 3-D structural data of large biological molecules, such as proteins and nucleic acids. The data, typically obtained by X-ray crystallography or NMR spectroscopy and submitted by biologists and biochemists from around the world, are freely accessible on the internet. The PDB is overseen by an organization called the Worldwide Protein Data Bank, wwPDB.
The PDB is a key resource in areas of structural biology, such as structural genomics. Most major scientific journals, and some funding agencies, such as theNIH in the USA, now require scientists to submit their structure data to the PDB. If the contents of the PDB are thought of as primary data, then there are hundreds of derived (i.e., secondary) databases that categorize the data differently. For example, both SCOP and CATH categorize structures according to type of structure and assumed evolutionary relations; GO categorize structures based on genes.
The PDB database is updated weekly (on Tuesday). Likewise, the PDB Holdings List is also updated weekly. As of 21 September 2010, the breakdown of current holdings was as follows:
Experimental Method
Proteins
Nucleic Acids
Protein/Nucleic Acid complexes
Other
Total
X-ray diffraction
55480
1231
2605
17
59333
NMR
7512
925
162
7
8606
Electron misroscopy
214
17
77
0
308
Hybrid
24
1
1
1
27
Other
126
4
4
13
147
Total:
63356
2178
2849
38
68421
If you want to know more details about PDB, just click on this link below;
Today i want to share about SMILES!!!but don't misunderstand...i'm not going to talk about smile hanging on human's mouth or any emoticon...somehow like this maybe
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.
ACD/ChemSketch is a chemically intelligent drawing interface that allows you to draw almost any chemical structure including organics, organometallics, polymers, and Markush structures. Use it to produce professional looking structures and diagrams for reports and publications.
From ChemSketch, we can draw many graphical objects. When you open ACD/ChemSketch, you will see this kind of page. First, you have to switch to the Draw mode.
From the KOS1110, i learn how to draw graphical objects by using ChemSketch such that:
Energy of reaction diagramn
Orbitals
Vacuum Distillation Apparatus
Two-chain DNA Strand
Lipids
This is some of my creation of graphical objects...
Energy of reaction diagramn
Orbitals
Vacuum Distillation Apparatus
This some of freeware currently available in market
FREEWARE
Date
ACD/ChemSketch Freeware
2010-06-30
ACD/ChemSketch Freeware for Linux
2006-05-24
ACD/NMR Processor Academic Edition
2010-03-18
ACD/Column Selector
2010-02-24
ChemSketch is a free download for educational use.want to download it?
Hi...everyone. Today i want to share my second lesson in computer class which is EXCEL. I believe eveyone had heard "Excel" at least once in their lifetime (except people who live long time ago before this spreadsheet was created...haha). Let me give you a brief what is excel....
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). Excel forms part of Microsoft Office. The current versions are Microsoft Office Excel 2010 for Windows and 2008 for Mac.
This the five latest versions of Microsoft Excel was produced since 2001.
When you open Microsoft Office Excel 2010, you will see this spreadsheet.
Like some other spreadsheet applications, Microsoft Excel supports charts, graphs or histograms generated from specified groups of cells. The generated graphic component either can be embedded within the current sheet, or added as a separate object.
By using Microsoft Excel, i can organize data and. From the data, we can graph it to view the data in convenient way. We also can make analysis from the graph and estimate some datas.
First, we have to insert all the data needed and related what we are going to do with it. Then we can graph it by using chart from the insert menu. There a bunch type of chart given in the spreadsheet such as column, line, pie, bar, area, scatter line and many more. This is some examples of excel spreadsheet that using pie and bar chart that can be use to compare values across categories.
I use Microsoft Excel to graph linear relationship between concentration of a
colored compound in solution and the light absorption of the solution in Beer's Law.
Beer's Law states that there is a linear
relationship between concentration of a colored compound in solution and the
light absorption of the solution. This fact can be used to calculate the
concentration of unknown solutions, given their absorption readings. First, a
series of solutions of known concentration are tested for their absorption
level. Next, a scatter plot is made of this empirical data and a linear
regression line is fitted to the data. This regression line can be expressed as
a formula and used to calculate the concentration of unknown solutions.
Maple™ is the essential technical computing software for today’s engineers, mathematicians, and scientists. Whether you need to do quick calculations, develop design sheets, teach fundamental concepts, or produce sophisticated high-fidelity simulation models, Maple’s world-leading computation engine offers the breadth, depth, and performance to handle every type of mathematics.
Core functionality
Users can enter mathematics in traditional mathematical notation. Custom user interfaces can also be created. There is extensive support for numeric computations, to arbitrary precision, as well as symbolic computation and visualization. Examples of symbolic computations are given below.
Maple incorporates a dynamically typed imperative-style programming language which resembles Pascal[2]. The language permits variables of lexical scope. There are also interfaces to other languages (C, Fortran, Java, MATLAB, and Visual Basic). There is also an interface with Excel.
Maple can help students a lot in their studies. They can use it in solving problems in mathematics. It is easy, reliable, friendly user and more.
For example, they can use maple for plotting graph.
Plotting of function of two variables
Plot x2 + y2 with x and y ranging from -1 to 1
plot3d(x^2+y^2,x=-1..1,y=-1..1);
Maple is an essential tool for students in any mathematical discipline. It lets you explore, visualize, and solve even the most complex mathematical problems, reducing errors and providing greater insight into the math.Students can run Maple-created learning materials through a web browser from anywhere in the world on or off campus with no other software needed on their machines. You can get the latest maple software which is Maple14 from the link below... http://www.maplesoft.com/
Maple is created and produced in 1982. Maple Maple have been upgrading in the past few years. It is evolving past generations.
