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View Full Version : Một số soft/tool thường dùng trong Hóa học


retre
22-01-2009, 03:01 PM
1. Chemistry Formatter Add-ins for Microsoft Word, Excel, and PowerPoint (hỗ trợ đánh công thức hóa học nhanh)

- Vào trang http://spectrum.troy.edu/~cking/ChemFormat/

- Chọn phiên bản tương ứng với office để down (file đuôi .dot)

- Add in vào word, excel và pp.


2. Portable Hyperchem Pro 8.0.6

- Down tại đây

http://rapidshare.com/files/171638456/PHP8.part1.rar

http://rapidshare.com/files/171644932/PHP8.part2.rar


3. Portable ChemWindows 6.0

http://i269.photobucket.com/albums/jj44/downarchive2/member2/chemwindows.jpg

The award-winning KnowItAll Informatics System, ChemWindow Edition offers complete, unified system to draw, modify, store, search, and retrieve chemical structures and other relevant information. Using integrated toolsets, researchers can perform multiple tasks in relationship to that data—and ultimately extract greater knowledge from it. Now researchers have all the data and software solutions they need in one place:

• Chemical Information Management
• Data Searching & Analysis
• Structure Drawing & Reporting

The ChemWindow Edition is ideal for management of chemical structures or for chemical inventory management. It also includes advanced features for publishing reports.

Portable 'ChemWindow 6' does not require installation. Make as many copies as you need. Carry it in a flash drive and use on any computer, even without administrator access. No change of any setting on the host computer. No more conflicts with other applications. No more 'hijacking' of file types. The portable app stores all temp files and settings in a Sandbox folder.


Down tại đây

http://rapidshare.com/files/178831727/Portable_ChemWindow_6.rar

hoặc

http://uploading.com/files/YSQA8P9H/Portable_ChemWindow_6.rar.html


4. ChemOffice Ultra 2008 v.11

ChemOffice Ultra is the ultimate chemistry & biology suite designed to meet the needs of chemists. ChemOffice Ultra 2008 allows scientists to efficiently keep track of their work, gain a deeper understanding of their data, correlate chemical structures, and produce scientific reports more professionally and efficiently than ever before.

ChemOffice is a powerful suite of software, consisting of ChemDraw, Chem3D, ChemFinder and ChemACX for chemists, BioOffice, BioAssay, BioViz, and BioDraw for biologists, and Inventory, E-Notebook and The Merck Index for scientists. ChemOffice and BioOffice are available for Microsoft Windows.

This ultimate chemistry suite includes ChemBioDraw Ultra 11.0, MestReC Std, ChemScript Pro 11.0, ChemBio3D Ultra 11.0, Chem3D interfaces to Schrödinger’s Jaguar and Gaussian, GAMESS Pro 11.0, ChemFinder Ultra 11.0, E-Notebook Ultra 11.0, ChemDraw/Excel and CombiChem/Excel, the ChemDraw and Chem3D ActiveX Pro Plugins & Controls, as well as the ChemINDEX (Index, RXN, NCI & AIDS) databases and a 1-year subscription to ePub. ChemOffice Ultra 2008 adds ChemFinder Ultra, CombiChem/Excel, Chem3D interfaces to Schrödinger’s Jaguar and Gaussian, GAMESS, and a 1-year subscription to ePub to the ChemOffice Pro 2008 suite.

* ChemBioDraw Ultra 11.0:
The undisputed standard for chemical and biological drawing, featuring proton NMR with peak splitting and highlighting, amino acid and DNA sequence tools, TLC plate drawing tool, Struct=Name, and stoichiometric analysis.

* Live Link to Databases:
Perform dynamic database lookup using the Database Gateway HotLink. The database search results include links to information resources found in the databases, structural properties, names & synonyms and chemical identifiers such as ACX ID's and CAS numbers.

* ChemBio3D Ultra 11.0:
State-of-the-art protein visualization, open GL graphics and stereo glasses. Molecular mechanics and semi-empirical calculations with interfaces to MOPAC, Jaguar, GAMESS and Gaussian. Includes Live Link to view your 2D structures live in 3D.

* MestReC Std:
Offers state-of-the-art facilities for data processing, visualization and analysis of high-resolution (2D) NMR data, combined with a robust, user friendly graphical interface that fully exploits the power and flexibility of the Windows platform.

* ChemFinder Ultra 11.0
Store, search and analyze relational scientific data, either within a structure-searchable local database, or as an interface to shared scientific data.

* E-Notebook Ultra 11.0:
Maintain configurable lab journals with pages from ChemDraw, Microsoft Word, Excel, PowerPoint and spectral software. Search by structure and text, and navigate through a complete visual audit trail.

* CombiChem/Excel Pro 11.0:
Build combinatorial libraries in Microsoft Excel using reagents selected by ChemFinder.

* ChemBioViz Pro 11.0
Correlate chemical and biological activity data, create graphical representations of ChemFinder databases in order to identify trends and correlations within subsets of your data, calculate descriptive statistics and display them on the plot.

* ChemDraw/Excel Pro 11.0:
Offers chemical spreadsheets with structures and searching of chemical structures in documents, folders and volumes.

* ChemDraw ActiveX/Plugin Pro 11.0:
Query online databases and view & publish online structures. This installer will automatically install the necessary Plugin or ActiveX controls based on your web browser(s). It includes save and print capabilities.

* ChemNMR Pro 11.0:
Predict Proton carbon-13 NMR spectra from ChemDraw structures. Chemical shifts and splitting patterns are clearly displayed and live-linked to the structure for both proton and carbon-13 NMR predictions.

* Struct=Name Pro 11.0:
Produce names for many more types of compounds, including charged compounds and salts, highly symmetric structures, many types of inorganic and organometallic compounds, and others.

* ChemScript Pro 11.0:
Extends the Python scripting language and takes many of the CambridgeSoft "chemical intelligence" algorithms, that are available throughout our products, and makes them available to users through an object model in an easy to use scripting language. ChemScript allows the extension of one's own chemistry business rules and executes those rules on data in a batch mode.

* Gamess Pro 11.0:
GAMESS is a program for ab initio molecular quantum chemistry. GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF. Correlation corrections to these SCF wavefunctions include Configuration Interaction, second order perturbation Theory, and Coupled-Cluster approaches, as well as the Density Functional Theory approximation.

* Databases:
Structure searchable scientific, reference and chemical databases including a 1-year subscription to the Ashgate and ChemINDEX databases.

System Reqs: Windows 2000, XP, Vista; Excel add-ins require MS Excel 2000, 2003, or XP


Down tại đây

http://rapidshare.com/files/16302831...2008.part1.rar

http://rapidshare.com/files/16303569...2008.part2.rar

http://rapidshare.com/files/16303886...2008.part3.rar

http://rapidshare.com/files/16304343...2008.part4.rar

http://rapidshare.com/files/16304747...2008.part5.rar


(theo chemvn)

retre
22-01-2009, 03:09 PM
5. Chimera - an extensible molecular modelig system UCSF

- Chimera là phần mềm khá hữu dụng về mô hình cấu trúc phân tử và mô phỏng sinh, hoá học.

http://www.cgl.ucsf.edu/chimera/enostruct.png http://www.cgl.ucsf.edu/chimera/enoseq.png


http://www.cgl.ucsf.edu/chimera/feature_highlights/pmm-loop.gif http://www.cgl.ucsf.edu/chimera/hbondsw.cross.png

- Là non-lincenced software của UCSF

- Có thể down trực tiếp tại UCSF Chimera Home Page (http://www.cgl.ucsf.edu/chimera/) với hệ điều hành tương ứng (có instruction và documentation)

Hoặc tại đây http://www.cgl.ucsf.edu/chimera/download.html