ChemBioOffice 化學軟體
ChemBioOffice Ultra 2008 化學家和生物學家所需要最終極的化學與生物學設計
軟體。ChemBioOffice Ultra 2008 允許科學家高效率地跟蹤他們的工作，獲得對
資料的更加深刻的理解，並關聯生物活動以化學結構，能更加專業地和高效率地提
出相關科學報告。
The function of ChemBioDraw 11.0
When Chem (Bio) chemical structure is drawn inside Draw, it indicates and visualizes the 3D model “3D preview function”, the database of CambridgeSoft, it can access database gateway hot link various Advanced Capability “database gateway function” and writing out to the SD file and reading function, interface customization function to of ChemDraw classic version and ISIS Draw and the like, amino acid and the DNA chain it can be drawn the “sequence tool” and so on it is added in simultaneously in another window easily. In addition, tRNA, ribosome A, B and the plasmid map were added to the tool bar of BioDraw. As for details please view description below.
The function of ChemBio3D 11.0
With the model can retain the quality which it calculated the MMFF94 power place which specializes in energy calculation of the display function and the protein etc “of Atom Property Table”, formal charge and non localized electric charge, correspondence to the file format maestro of product front end of the Schrodinger corporation, various Advanced Capability such as Kekule and indication of non localized connection are added. As for details please view description below.
The function of ChemFinder 11.0
ChemFinder 11.0 is database management system for all people who handle chemical corps intelligence. Chemical structure system, physical characteristics, the place where note, the data table, and the diagram etc which it is related to these are retained is offered. It is something which is substituted to the index card of the paper which has been used for the rearrangement of the information regarding the molecule and the reaction formula which have interest. If ChemFinder 11.0 is used, data retrieval being efficient, it becomes fast, it is possible to rearrange the data at once. With ChemFider 11.0 Advanced Capability below was added:
- Compound profile
If this Advanced Capability is used, it compares chemical structure on the basis of the value of the quality which is selected ranking can attach visual.
- Pad control
With the form of ChemFinder 11.0, as the box, it is possible to add the ActiveX control of the third party.
- ChemFinder 11.0/Python.
The Python interpreter is imbedded to ChemFinder 11.0. Popular full function of programming language Python can be utilized, OLE automation, file I/O, in addition various applications can be utilized inside ChemFinder 11.0.
- CFX file format.
The extension of the file of ChemFinder 11.0 type became *.cfx. The file itself has become XML type, using Notepad and the general XML editor, it is possible to compile. The CFX file which was drawn up with ChemFinder 11.0 becomes full compatible with the future version of ChemFinder. Example: mydb.cfx- Also CFW type until recently sort support
The CFW file of old style it can open. In addition, it is possible also in Save As File menu command to retain in CFW type. However, it is not supported Advanced Capability many with CFW type.
- Also CFW type until recently sort support
Revised point
- Find Structures menu (Pro)
With ChemFinder 11.0, Search > ring type and electric charge/radical being in the Find Structures sub menu, search option was added.
- The improvement of UI
- Style button of text and frame box
- Option of read-only structural box
- Automatic operation update of frame label
- R-Group table
It reached the point where it can retain the R-Group table. R-Group structure can also copy in the clipboard. - “Loose delocalization” search mode
“Non localized (delocalized)” it can set ChemFinder 11.0 single unit connection as the ring where double bond is connected alternately. In order to think with algorithm of default, when it does not hit, when this algorithm which it is ignores the unstable electron with [kueri] and the target is selected, the hit for tautomerization isomer and [kueri] which includes non localized connection becomes many.
- Improvement of sort.
- Import/Export option
In ChemFinder are related 11.0 and Oracle database both parties many improvements have done. - Improvement of database
Not only the Windows meta file, you can connect the picture box, to also the field which has the graphics data of bit map type. It is possible to read the graphics data from the database which has that kind of file. - The improvement of Oracle/BioSAR
- The improvement of CAL
OUTPUT_STR, EXEC_BUTTON and READPICT, the command of WRITEPICT three was added.
The function of BioViz 11
BioViz is the multi-function tool kit in order to visualize the numeric data of ChemFinder. It can calculate structural active correlation and the statistical data, it can indicate the histogram and the scatter diagram, as logarithm plotting. Smallest, maximum and average, the median and standard deviation etc are included in descriptive statistics. It draws up compound profile, visual comparison and the line changing it is possible on the basis of the value of the cost analysis which it is related to quality and each quality which are selected. In addition, it is possible also to draw up plotting inside the sub form of ChemFinder. Advanced Capability below was added to BioViz:
- Control of plotting appearance
Form of the point, size, background color and the axial label etc it became customization possible.
- Sub form plotting
Plotting can be indicated in the sub form box. Plotting is drawn up on the basis of the field of the table which is connected to sub form. With this, the data inside sub form can be visualized quickly in every chemical compound.
Revised point
- Improvement of statistical indication.
- Improvement of color in histogram.
- Retention of busy condition
The improvement of ChemFinder 11.0/Oracle (Pro)
- The integration with BioSAR
Data form from BioSAR can be exported directly in ChemFinder with the Oracle database. - The improvement of UI
- Control box
Hardware requirement:
- Windows 2000, XP and Vista;
Excel add-ins require MS Excel 2000 and 2003, or XP