ACD/ChemFolder
Input/Output Formats
The ACD/ChemFolder interface supports the following data file formats.
Format
Name |
File
Extension |
Input 1) |
Output |
Comment |
ACD/Labs ChemFolder
Database file |
*. cfd |
 |
|
ACD/Labs standard structure and reaction database format |
ACD/Labs Database ID
List File |
*.lst |
|
|
Databases subsets can be saved as lists for future comparisons, mergers, intersect and exclusion selections |
MDL SDfile |
*. sdf |
|
|
Import and export options enabled
New! SDF Viewer mode: browse and search SDfiles |
MDL RDfile |
*. rdf |
|
|
Import and export options enabled |
MDL molfile |
*. mol |
|
|
|
MDL RXNfile |
*. rxn |
|
1) |
REACCS Rxn format; Import and export options enabled |
SMILES strings |
*. txt |
|
1) |
Simplified Molecular Input Line Entry Specification |
ChemSketch drawing |
*.sk2 |
2) |
2) |
Compact vector based drawing in ChemSketch can be updated to ChemFolder and are fully editable |
Images 4) |
*.gif, *.tif, *.wmf,
etc. |
2) |
2) |
Limited support for standard image formats provided through the ChemSketch module only without editing capabilities |
Tables |
*.txt, *.sdf |
|
3) |
Data represented in Table view can be exported to a text file or SDfiles (excluding structures, images, and interactive objects) |
1) |
For molfile or rxnfile, export option only apply for individual structure or a single reaction per record. |
2) |
Drawings produced in the ACD/ChemSketch module can be updated to ACD/ChemFolder. Even if your favorite image format (e.g. GIF) is not directly supported, you may be able to paste or import images from external drawing programs into ACD/ChemSketch, and then to update the image to ACD/ChemFolder. |
3) |
Since Table view presents a spreadsheet-like view of the database content, the Table View mode supports the export of selected columns to either SDfile formats or a tab delimited text file. |
4) |
Images and structures can be pasted from Clipboard in the ACD/ChemFolder database window. |
NOTE: In Update mode, it is also possible to import into a single record User Data from a text file. In Browse mode, it is possible to export User Data filed in one records as a text file.
Data can also be pushed to ChemFolder through ACD/ChemSketch 1),2) . Input/Output formats supported through the ACD/ChemSketch, when coupled with the ACD/ChemBasic set of tools, greatly augments ChemFolder's ability to accept data from different sources.
Format
Name |
File
Extension |
Input 1) |
Output |
Comment |
ACD/Labs Structure |
*.sk2 |
|
|
ACD/Labs standard format for structures and reports |
Adobe Acrobat |
*.pdf |
|
|
Adobe portable document format (PDF) |
ChemDraw |
*.chm |
|
|
ChemDraw version 4.0 & earlier, from CambridgeSoft |
ChemDraw |
*.cdx |
|
|
ChemDraw version 4.0 & later, from CambridgeSoft |
Chemical Markup Language |
*.cml |
|
|
Similar to CHIME or RasMol |
ChemSketch 1.0 |
*.mst |
|
|
Very early ChemSketch - molecular structure format |
ChemSketch 1.0 |
*.rtp |
|
|
Very early ChemSketch - report format |
GIF Bitmap |
*.gif |
|
|
For exporting graphics |
HTML |
*.html |
|
|
Requires ChemBasic Goodie SK2VRML.bas; read FillTmp.doc first |
ISIS Sketch |
*.skc |
|
|
Useful for ISIS/Draw, Base, and Host |
MDL molfile |
*.mol |
|
|
Industry standard for molecular structures |
MDL extended (V3000) molfile |
*.mol |
|
|
Industry standard for molecular structures with extended R-groups |
MDL RXNfile |
*.rxn |
|
|
REACCS Rxn format |
MDL SDfile |
*.sdf |
|
|
New! SDF Viewer, through integration with ACD/ChemFolder |
MDL SDfile |
*.sdf |
|
|
Requires ChemBasic Goodies SDF2SK.bas and ExpSDF.bas |
Paintbrush |
*.pcx |
|
|
For exporting graphics |
SMILES |
|
|
|
Tools menu, generates Structure from SMILES or SMILES from Notation |
TIFF Bitmap |
*.tif |
|
|
For exporting graphics |
Windows Bitmap |
*.bmp, *.dib |
|
|
The Windows Bitmap import command is only available in the ChemSketch drawing areas |
Windows Metafile |
*.wmf |
|
|
Standard Windows vector picture format |
1) |
Even if your favorite format (such as GIF) is not supported as direct input, you CAN place these images in ACD/ChemSketch by opening the file with another program (such as Windows Paint) and pasting it into ChemSketch. |
2) |
Some of the supported formats require installation of ChemBasic Goodies. This is an add-on to ChemSketch that is installed by default with the commercial release of ChemSketch. If you are using ChemSketch freeware, the ChemBasic add-on must be downloaded separately and installed in the freeware folder. |
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