Hyleos : applications - ChemFileBrowser

.

.

.

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

..:: Hyleos ::.. - v1.3 Design By Hyleos.net®