RegMol 2.1.5 Release 

Wednesday, November 06, 2013 11:27:00 AM

RegMol is a molecule registration and assay database system, enabling scientists to register and track small-molecules, biologics and biological conjugates, storing and retreiving biological assay data.

RegMol 2.1.5 includes following improvements and changes:

  1. Be able to create Relationship between parent structures
  2. Add Home page
  3. Be able to customize search results
  4. Be able to sort search results
  5. Be able to print barcodes of batch molecule ID and parent molecule ID

Please contact us from our website http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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DevSuite 3.1.1 Release, Including JSDraw, JSDraw.NET, MolEngine and MolSql 

Tuesday, November 05, 2013 8:46:00 AM

Scilligence Cheminformatics Development Suite (DevSuite, http://devsuite.scilligence.com) is a complete toolkit for developers to build web applications and .NET applications.  DevSuite contains following modules:

  1. JSDraw.Draw - 100% Javascript Chemical/Biological Structure Editor
  2. JSDraw.NET - A .NET wrapper of JSDraw (New in DevSuite 3.0)
  3. JSDraw.WebServices - JSDraw server side web services to exend JSDraw capabilities
  4. MolEngine - .NET Cheminformatics Toolkit
  5. MolEngine.Plugins - Third-party modules to extend MolEngine capabilities
  6. MolSql - Chemistry Cartridge for Microsoft SQL Server

 

DevSuite release 3.1.1 includes (demo):

  1. JSDraw 3.1.1
    1. Add TLC Plate templates
    2. Add more events to JSDraw.Table
    3. Bugfix: SMILES contans an extra Hydrogen
    4. Add ionic bond type
    5. Add DropdownCheck control
    6. Bugfix: inserting symbol doesn't work
    7. Be able to set charges with atom Text Editor
    8. Be able to resize whole JSDraw.Table
    9. IE 9/10 scroll bar is not restored after setting focus back to IE
    10.   Added fullscreen mode
    11.   Revamped TLC plate drawing
  2. JSDraw.NET 3.1.1
    1. Upgraded MolEngine and JSDraw to version 3.1.1
  3. JSDraw.WebServices 3.1.1
    1. Upgraded MolEngine to version 3.1.1
  4. MolEngine 3.1.1
    1. Add ionic bond type
    2. Add functional groups, such as OAc
    3. Corrected synonym tables
    4. Be able to disable internal synonym table
    5. Bugfix: reaction conditions lost when cleaning them up.
    6. Be able to show TLC lane labels
  5. MolEngine Plugins
    1. No changes for this release
  6. MolSql 3.1.1
    1. Upgrade MolEngine core to version 3.1.1

To download DevSuite or individual modules:

  1. JSDraw: http://www.scilligence.com/web/download.aspx?prod=JSDraw
  2. JSDraw.WebServices: http://www.scilligence.com/web/download.aspx?prod=JSDraw.WebServices
  3. MolEngine: http://www.scilligence.com/web/download.aspx?prod=MolEngine
  4. MolEngine.Plugins: http://www.scilligence.com/web/download.aspx?prod=MolEngine.Plugins
  5. MolSql: http://www.scilligence.com/web/download.aspx?prod=MolSql

Please contact us here http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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TouchMol 2.0.2 Release 

Tuesday, October 08, 2013 12:59:00 PM

TouchMol for Office is delivered as a set of add-ins to the Microsoft Office application programs,  enabling the input and editing of molecular structures within Word, Excel, PowerPoint, and OneNote.

TouchMol 2.0.2 includes the following new features:

  1. Be able to save as picture files
  2. Be able to open SDF, MolEngine and CSV file from TouchMol
  3. Improved TLC plate drawing
  4. Add TLC Tempaltes
  5. Bugfix: chiral flag lost when writing molfiles
  6. Bugfix: eraser, text and other tools draw strange lines
  7. Bugfix: brackets from molfile are lost
  8. Bugfix: chiral flag in molfile is lost

To download our TouchMol, follow the links below:

TouchMol for Office 2010 and 2013 (for both x86 and x64):
http://www.scilligence.com/web/download.aspx?prod=TouchMol4Office201x

TouchMol for Office 2007:
http://www.scilligence.com/web/download.aspx?prod=TouchMol4Office2007

TouchMol Desktop:
http://www.scilligence.com/web/download.aspx?prod=TouchMolDesktop

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RegMol 2.1.4 Release 

Friday, October 04, 2013 8:56:00 AM

RegMol is a molecule registration and assay database system, enabling scientists to register and track small-molecules, biologics and biological conjugates, storing and retreiving biological assay data.

RegMol 2.1.4 includes following improvements and changes:

  1. Be able to search molecules by Molecule Type (Protein, Peptide, Antibody, ADC, Small Molecule, Gene, etc.)
  2. Add to Shopping Cart
  3. Be able to export molecules to CSV, SDF and FASTA files
  4. Support Gene molecule type
  5. Create molecule relationships

Please contact us from our website http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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DevSuite 3.1.0 Release, Including JSDraw, JSDraw.NET, MolEngine and MolSql 

Tuesday, October 01, 2013 12:00:00 PM

Scilligence Cheminformatics Development Suite (DevSuite, http://devsuite.scilligence.com) is a complete toolkit for developers to build web applications and .NET applications.  DevSuite contains following modules:

  1. JSDraw.Draw - 100% Javascript Chemical/Biological Structure Editor
  2. JSDraw.NET - A .NET wrapper of JSDraw (New in DevSuite 3.0)
  3. JSDraw.WebServices - JSDraw server side web services to exend JSDraw capabilities
  4. MolEngine - .NET Cheminformatics Toolkit
  5. MolEngine.Plugins - Third-party modules to extend MolEngine capabilities
  6. MolSql - Chemistry Cartridge for Microsoft SQL Server

 

DevSuite release 3.1.0 includes (demo):

  1. JSDraw 3.1.0
    1. Bugfix: chiral flag lost when writing molfiles
    2. Bugfix: there is no space between number and unit
    3. Bugfix: XDraw now show up correctly on some environments
    4. Bugfix: XDraw doesn't return smiles
    5. Bugfix: eraser, text and other tools draw strange lines
    6. Bugfix: time formated in one digital
    7. Bugfix: improved TLC plate
    8. Be able to view bio sequence in viewonly mode
    9. Add DropdownButton in JSDraw.Pro
    10.   Bugfix: Tooltips not show correctly in Table Form
  2. JSDraw.NET 3.1.0
    1. Upgraded to JSDraw 3.1.0
  3. JSDraw.WebServices 3.1.0
    1. Upgraded MolEngine to version 3.1.0
  4. MolEngine 3.1.0
    1. Add Attributes properties to MolBase
    2. Be able to not show implicit hydrogens
    3. Bugfix: Brackets from molfile are lost
    4. Bugfix: chiral flag in molfile is lost
    5. Bugfix: cannot parse flexible formula
  5. MolEngine Plugins
    1. No changes for this release
  6. MolSql 3.1.0
    1. Upgrade MolEngine core to version 3.1.0

To download DevSuite or individual modules:

  1. JSDraw: http://www.scilligence.com/web/download.aspx?prod=JSDraw
  2. JSDraw.WebServices: http://www.scilligence.com/web/download.aspx?prod=JSDraw.WebServices
  3. MolEngine: http://www.scilligence.com/web/download.aspx?prod=MolEngine
  4. MolEngine.Plugins: http://www.scilligence.com/web/download.aspx?prod=MolEngine.Plugins
  5. MolSql: http://www.scilligence.com/web/download.aspx?prod=MolSql

Please contact us here http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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ELN 2.1.4 Release 

Tuesday, October 01, 2013 9:36:00 AM

Scilligence ELN is a completely web-based electronic lab notebook system for Chemistry and Biology.

Scilligence ELN 2.1.4 includes following changes and improvements:

  1. Denying witness will automatically re-open the experiment
  2. Bugfix: it should not be able to set the author as the witness
  3. Bugfix: add a space between number and unit
  4. Remove prompt dialog to ask for saving.  It always saves modified files.
  5. Bugfix: time formated in one digital
  6. Bugfix: experiment timestamps are messed up

Please contact us from our website http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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TouchMol 2.0.0 Release 

Tuesday, September 03, 2013 7:58:00 AM

TouchMol for Office is a set of add-ins to the Microsoft Office application programs.  Using the latest Microsoft Office add-in technology, TouchMol for Office extends Word, Excel, PowerPoint, and OneNote with structure editing, query entry, and chemical property search and display. With version 2.0, Scilligence has enhanced the structure sketching capabilities of TouchMol to include:


Customized Structure Templates - (http://www.elncloud.com/jsdrawapp/jsdraw/CustomTemplate.htm)
New Drawing Features - Curved Arrows, Freehand Shapes, Rectangles and Ellipses (http://www.elncloud.com/jsdrawapp/jsdraw/Shapes.htm)
TLC Plates - (http://www.elncloud.com/jsdrawapp/jsdraw/TLC.htm)
One-Click Conversion to ChemDraw - (TouchMol for Word) (http://www.scilligence.com/web/one-click-to-convert-touchmol-structures-into-chemdraw-style-in-word.aspx)
Expandable Atom Labels
Flip and Rotate Selected Atoms and Bonds
Adjust Text Size
Export SMILES and
Molfile for peptides/oligonucleotides
Customizable Display - Including Fonts, Bond Width, Bond Spacing, Color, Carbon Display, etc.


To download TouchMol for Office, follow the links below:

TouchMol for Office 2010 and 2013 (for both x86 and x64):
http://www.scilligence.com/web/download.aspx?prod=TouchMol4Office2010

 

TouchMol for Office2007:
http://www.scilligence.com/web/download.aspx?prod=TouchMol4Office2007

 

TouchMol Desktop:
http://www.scilligence.com/web/download.aspx?prod=TouchMolDesktop



 

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DevSuite 3.0.0 Release, Including JSDraw, JSDraw.NET, MolEngine and MolSql 

Friday, August 02, 2013 7:41:00 AM

Scilligence Cheminformatics Development Suite (DevSuite, http://devsuite.scilligence.com) is a complete toolkit for developers to build web applications and .NET applications.  DevSuite contains following modules:

  1. JSDraw.Draw - 100% Javascript Chemical/Biological Structure Editor
  2. JSDraw.NET - A .NET wrapper of JSDraw (New in DevSuite 3.0)
  3. JSDraw.WebServices - JSDraw server side web services to exend JSDraw capabilities
  4. MolEngine - .NET Cheminformatics Toolkit
  5. MolEngine.Plugins - Third-party modules to extend MolEngine capabilities
  6. MolSql - Chemistry Cartridge for Microsoft SQL Server

DevSuite release 3.0.0 includes (demo):

  1. JSDraw 3.0.0
    1. Draw TLC plates (http://www.elncloud.com/jsdrawapp/jsdraw/TLC.htm)
    2. Use custom templates (http://www.elncloud.com/jsdrawapp/jsdraw/CustomTemplate.htm)
    3. Draw curve arrows
    4. Draw shapes, rectangles and ellipses (http://www.elncloud.com/jsdrawapp/jsdraw/Shapes.htm)
    5. Be able to expand abbreciations
    6. Be able to flip and rotate partial molecule
    7. Be able to set text font sizes
    8. Export SMILES and Molfile from drawn peptides/oligonucleotides
    9. bugfix: hydrogen count and valuence attributes are not read correctly in molfiles
    10. bugfix: superatom definition lost if having text
    11. bugfix: isotope is not writen correctly in molfile
    12. bugfix: cannot set any isotope
    13. bugfix: fragment selection tool doesn't work correctly
    14. bugfix: Double Bonds not centered properly
    15. bugfix: be able show all carbon atoms, or termal carbon atoms
  2. JSDraw.NET 3.0.0
    1. All features in JSDraw 3.0.0
    2. Copy/paste ChemDraw and ISIS/Symyc/Accelrys Draw structures
    3. .NET APIs
  3. JSDraw.WebServices 3.0.0
    1. Upgraded MolEngine to version 3.0.0
  4. MolEngine 3.0.0
    1. Support JSDraw 3.0.0 new objects, including TLC plates, Shapes, curves
    2. Expose configuration to customize structure display, including font name, font size, line width, bond space, monocolor, carbon display etc.
    3. Atom labels are now all transparent
    4. Some arrows from old ChemDraw version not read correctly
    5. MemorySearch output SDF defaulted to kekulized mode
    6. bugfix: be able to handle multiple attach point on one atom
    7. bugfix: Cleanup doesn't generate coordinates at all for some structures
    8. bugfix: Oracle boolean column not read correctly
  5. MolEngine Plugins
    1. No changes for this release
  6. MolSql 3.0.0
    1. Upgrade MolEngine core to version 3.0.0

To download DevSuite or individual modules:

  1. JSDraw: http://www.scilligence.com/web/download.aspx?prod=JSDraw
  2. JSDraw.WebServices: http://www.scilligence.com/web/download.aspx?prod=JSDraw.WebServices
  3. MolEngine: http://www.scilligence.com/web/download.aspx?prod=MolEngine
  4. MolEngine.Plugins: http://www.scilligence.com/web/download.aspx?prod=MolEngine.Plugins
  5. MolSql: http://www.scilligence.com/web/download.aspx?prod=MolSql

Please contact us here http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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JSDraw.NET - Draw Chemical/Biological Structures in .NET Application 

Wednesday, July 24, 2013 3:58:00 PM

Scilligence will release JSDraw.NET as a new module in DevSuite 3.0.  JSDraw.NET will allow cheminformatics developers to embed chemical structure editing, query entry, and results disply within their own .NET application.

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JSDraw 3.0 Feature: Change Font Sizes 

Monday, July 22, 2013 9:48:00 PM

It is able to change text font sizes in JSDraw 3.0:

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Draw Curves and Shapes in JSDraw 3.0 

Friday, July 05, 2013 3:17:00 PM

The development of another JSDraw 3.0 feature is finished: draw curves and shapes.

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How to load an SDF into a SQL Server Database Table? 

Friday, July 05, 2013 8:49:00 AM
// -----------------------------------------------------
// How to load an SDF into a SQL Server Database Table
// -----------------------------------------------------
// 
// Part I. Prepare database
// 1. Create SQL Server database
// 2. Install MolSql cartridge
// 3. Create the structure database
//    create table Structures (ID bigint not null primary key, Molfile nvarchar(max), Vender nvarchar(256));
// 4. Create structure index
//    molindex 'create', 'Structures', 'Molfile', 0
// 
// Part II. Load the sdf into the created database table with following C# code
// 1. Add Scilligence.MolEngine.dll and Scilligence.MolEngine.Companion.dll refrence
// 2. The following code does the importing

// create sdf reader
using (Scilligence.MolEngine.IO.SDFile sdf = 
    new Scilligence.MolEngine.IO.SDFile(@"c:\compounds.sdf", Scilligence.MolEngine.IO.MDLDBBase.OpenMode.Read))
{
    // connect to sql server database
    string connectionstring = "Data Source=(local);Initial Catalog=Database;Integrated Security=True";
    using (Scilligence.MolEngine.Companion.Database db = 
        Scilligence.MolEngine.Companion.Database.Create("sqlserver", connectionstring))
    {
        int id = 0;
        Scilligence.MolEngine.IO.SDFile.Record r;
        Scilligence.MolEngine.Companion.Database.Row row = new Scilligence.MolEngine.Companion.Database.Row();

        // read records
        while ((r = sdf.ReadNext()) != null)
        {
            ++id;
                        
            // create database record
            row.Clear();
            row.Add("ID", id);
            row.Add("Molfile", r.m.ToString(Scilligence.MolEngine.Molecule.MimetypeMol));
            row.Add("Vendor", r.items["Vendor"]);

            // write into sql server
            db.Insert("Structures", row);
        }
    }
}
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Working in Black & White Display Mode 

Tuesday, July 02, 2013 9:47:00 AM

You can now set TouchMol, MolEngine, and JSDraw to display structures in black and white mode.

For TouchMol and MolEngine, add the following in scilligence.config or to your application config:

<add key="molengine.draw.monocolor" value="1" />

scilligence.config location:

Windows XP: C:\Documents and Settings\All Users\Application Data\Scilligence\Common\

Window 7, 8: C:\ProgramData\Scilligence\Common\

For JSDraw:

JSDraw.defaultoptions = { monocolor: true };

or

new JSDraw("div1", { monocolor: true });

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Use Custom Templates in JSDraw 

Friday, June 28, 2013 3:21:00 PM

Custom Structure Templates have been implemented in JSDraw 3.0.

Try it live

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One-Click Converts TouchMol Structures to ChemDraw CDX 

Friday, June 21, 2013 7:53:00 AM

In TouchMol version 2.0.0, we can convert TouchMol structures into ChemDraw CDX with 1 click:

TouchMol 2.0.0 is scheduled for August release.

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Insert Symbols and Special Characters in JSDraw 

Wednesday, June 19, 2013 7:46:00 PM

It will be much easier to insert symbols and special characters in JSDraw:

It is able to show Symbol dialog using toolbar, but it is also be able to show it using Ctrl+Down-Arrow shortcut in textbox.  Using Ctrl+Up-Arrow to hide Symbol dialog.

Try it now

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RegMol 2.1.2 release 

Friday, June 07, 2013 8:00:00 AM

RegMol is compound registration and assay database system, enabling scientists to register and track small-molecule, biologics and biological conjugates, storing and retreiving biological assay data.

RegMol 2.1.2 includes following improvements and changes:

  1. New sequence editor, with sequence annotation features
  2. Support Oligonucleotides and their conjugates
  3. Batch register sequence and macro-molecules
  4. Revamped virtual compound registration
  5. Be able register new batch from an existing one, or from its parent structure
  6. Add more biological fields
  7. Users are able to change password and other information themselves
  8. Grouped registration fields
  9. Barcode printer now write log
  10. Add Amdin tool to correct Compound IDs

Please contact us from our website http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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JSDraw to Support Non-English Languages 

Wednesday, June 05, 2013 11:51:00 PM

Chinese, Japanese, and many other languages

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Scilligence ELN 2.1.2 Release 

Tuesday, June 04, 2013 1:00:00 PM

Scilligence ELN is a completely web-based electronic lab notebook system for Chemistry and Biology.

Scilligence ELN 2.1.2 includes following changes and improvements:

  1. [Chem] Add Salt field single-step reaciton, which can be carried over to RegMol
  2. Improved security control by limiting IP Ranges
  3. Add a time expiration to greeting message
  4. DB changes: two new form; accounts and users changed
  5. Be able to set user's expiration date
  6. Show all annoations when loading a picture
  7. bugfix: cannot recover items from recycle bin
  8. Add biological sequence form with sequence annotation
  9. Navigating pages not working for search results
  10. Typing passwords when closing and witnessing experiments

Please contact us from our website http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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Cheminformatics DevSuite 2.7.0 Release, Including JSDraw, MolEngine and MolSql 

Monday, June 03, 2013 8:00:00 AM

Scilligence Cheminformatics Development Suite (DevSuite, http://devsuite.scilligence.com) is a complete toolkits for developers to build web applications and .NET applications.  Dev Suite contains following key modules:

  1. JSDraw - 100% Javascript Chemical/Biological Structure Editor
  2. JSDraw.WebServices - JSDraw server side web services to exend JSDraw capabilities
  3. MolEngine - .NET Cheminformatics Toolkit
  4. MolEngine.Plugins - Third-party modules to extend MolEngine capabilities
  5. MolSql - Chemistry Cartridge for Microsoft SQL Server

DevSuite release 2.7.0 includes:

  1. JSDraw 2.7.0
    1. Fully support atom label and abbreviations, such as COOH, Ph, Fmoc.  All supported abbreviations: http://www.elncloud.com/jsdrawapp/jsdraw/JSDrawAbbreviation.htm
    2. Allow R group in R group
    3. Add number shortcuts to change R index
    4. Add atom type M for metal
    5. Open/Save/Copy/Paste ChemDraw structures and preserve atom labels
    6. bugfix: cannot add template bonds to R-group substructure
    7. bugfix: bracket not saved in Rxnfile
    8. bugfix: context menu off screen
  2. JSDraw.WebServices 2.7.0
    1. Upgraded MolEngine to version 2.7.0
  3. MolEngine 2.7.0
    1. Be able to preserve atom labels in ChemDraw file
    2. Support atom abbreviations.  All supported abbreviations: http://www.elncloud.com/jsdrawapp/jsdraw/JSDrawAbbreviation.htm
    3. Support custom atom abbreviations
    4. RemoveHydrogen() is able to keep Hs on metal
    5. Support DNA/RNA sequences
  4. MolEngine Plugins
    1. No changes for this release
  5. MolSql 2.7.0
    1. Upgrade MolEngine core to version 2.7.0
    2. Add functions: JSDraw() and JSDrawS()
    3. bugfix: Structure indices are not all created when creating indices on existing tables

To download DevSuite or individual modules:

  1. JSDraw: http://www.scilligence.com/web/download.aspx?prod=JSDraw
  2. JSDraw.WebServices: http://www.scilligence.com/web/download.aspx?prod=JSDraw.WebServices
  3. MolEngine: http://www.scilligence.com/web/download.aspx?prod=MolEngine
  4. MolEngine.Plugins: http://www.scilligence.com/web/download.aspx?prod=MolEngine.Plugins
  5. MolSql: http://www.scilligence.com/web/download.aspx?prod=MolSql

Please contact us from our website http://www.scilligence.com/web/contact.aspx to schedule a demo, begin an evaluation, or request further information.

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