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ChemFileBrowser
ChemFileBrowser SDF browser view (CFB) ChemFileBrowser is win32 free sotfware designed to visualize and works with SDFile (MDL® format) used by chemists to exchange and store compounds and associated data .

Functions :
  • navigate forward and backward through an SDF
  • introduce SDI file (SDF File index) to map directly SDF File
  • add and edit field name
  • export selected compounds
  • export SDF with selected fields
  • rename structure with a field value
  • export data as *.csv file
  • copy to clipboard (compatible with IsisDraw, ChemDraw, ViewerPro and others)
  • bookmark compound manager to create an SDFile from a selection
  • split, merge SDF
  • chemical descriptors : TPSA, Hydrogen Bond donor and acceptor number, molecular weight
  • mathematical descriptors : Balaban, Randic, Wiener, Harary, Shultz index

New Hyleos Chemistry Grid :

gridview for chemistry Chemistry column add-in is compatible with MOL, HCV format
Custom grid is actually read only until internal database engine will be finished to allow loading and saving formated data

N.B : Hyleos Chemistry Grid is still in beta stage



ChemFileBrowser known bugs :
  • If a SDF File associated with a SDI File as been modified *.SDI have to be recreated or errors will ocurred
  • query structure or reaction scheme are not recognized and returns error
  • as working directly on SDF, dataset module could be time and ressource consuming (if Chemistry column is activated all structure are loaded in memory)

IMPORTANT : you have to uninstall previous version of ChemFileBrowser before installing v0.2.9.2 !


To Do :
  • add LogP calculation
  • include calculators into SDF export procedure
In Course :
  • smiles (daylight®) I/O functions (95%)
  • Fingerprint generation (95%)
  • 3D to 2D conversion (20%)
Last version 0.2.9.3 (05-11-2008) :
   win98/2000/NT/XP - size = 1173 Ko
 
Previous version 0.2.9.2 (05-12-2007) :
   win98/2000/NT/XP - size = 1167 Ko

Last Changes
0.2.9.3 :
Bug fix
  • Split numerical fields lock to value 1
  • Export range numerical fields lock to value 1
Previous Changes
0.2.9.2 :
GUI updates
  • Update graphical library
  • Minor bug Fixes and optimizations
0.2.9 :
GUI updates
  • Left menu is removed and replaced by a top button navbar
  • gridview is not reloaded until a new SDFile is loaded
0.2.8.2 :
  • Includes ChemViewX 1.9.4 (see ChemViewX latest release)
0.2.8 :
  • Fix memory leak in gridview panel
  • Includes ChemViewX 1.9.3
0.2.7 :
  • Add link to search (substructure) a compound on "emolecules" (ex Chmoogle) when browse SDFile
  • Compound can be selected in the gridview panel and send to the bookmark to be exported
  • Minor optimisations
0.2.6 :
  • Fixed minor bug on SDF parser
  • Minor optimisations
0.2.5 :
  • Fixed major memory leak bug on grid view
  • Fixed bug on grid view when draw carbonyls
  • Optimize atoms label drawing in ChemView
0.2.4 :
  • Add form to merge the content of a CSV file to a SDF. (search identical value of the selecte column)
  • Add capability to show compound name on the structure representation
  • Optimize Compound renderer
0.2.3 :
  • Bug Fixed on aromaticity detection for special case
  • Many minor improvements on Hyleos ChemCore API
0.2.2b :
  • Fix a bug on bond recognition for chemistry column in the Dataset panel (custom grid)
0.2.2 :
  • Added Chemistry column representation to the Grid view in the Dataset Panel
  • Bug Fixed on "M END" tag recognition from some suppliers SDF
0.2.1 :
  • Added HCV (hyleos ChemView internal format)
  • Update "SDF->Browse" and "SDF->Bookmark" panel
  • Bug Fixed on "Merge SDF" function (Thanks to Ned)
0.1.9 :
  • Added ChemView activeX options panel (right click)
  • Update ChemView activeX ring and double bond drawing
  • Bug Fixed on FindSSSR routine
0.1.8 :
  • Bug Fixed for structure coloration
  • Bug Fixed for atomic symbol drawing
  • Buf Fixed when opening an SDFile from a CDROM
0.1.7 :
  • Structure can now be paste as an image
  • Add Beta descriptors for testing in the browser panel : Balaban Index, Randic Index, Harary Index, Shultz Index, Wiener Number
  • Correct H Bond Donor and acceptor calculation
0.1.6 :
  • Chemistry Viewer is now released as a Windows ActiveX
  • Dataset values can be edited and save as a CSV file
  • Correct bug when clear Bookmark
0.1.5 :
  • Copy to clipboard function (MDLCT format compatible with ChemDraw / IsisDraw)
  • Remove Hydrogen option for 2D drawing
  • Add atom coloration for 2D drawing
  • Correct bug for SDF using both Windows/Unix end line format
0.1.4 :
  • correct critical bug on memory leak
  • description calculation are now done on the largest compound founded if we have a complexe (ex : mol + salts)
  • Up and Down bond are now drawn by the structure plugin visualizer
0.1.3 :
  • correct bug on aromaticity detection
  • added TPSA calculation
  • added Hydrogen bond donor and acceptor calculation
  • correct bookmark cleaning
  • correct bookmark tab moving bug
0.1.2 :
  • added bookmark section
  • added Dataset section
  • added MolWeight calculation
0.1.1 :
  • added csv export format
0.1.0 :
  • correct Unix/Linux source file compatibility
  • adapted Morgan algorithm for unique connectivity table export
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