Friday, May 12, 2006

Excel VBA Program to Process sdf files

I have developed an Excel VBA program which processes sdf molecule files, or files in other formats, such as malaria37.sdf. The program generates a column of SMILES for the entries in the sdf file, allows you to retrieve molecular weights and supplier info for each entry, and insert an image of each molecule. Note that to insert images, you must have ChemSketch/ChemBasic installed on your computer to generate them; the images are generated by the ChemBasic script ProcessMol.bas. You can also insert the UC numbers, if any, from usefulchem-molecules.

To use the program, download the zip file into an appropriate folder (e.g., c:\ConvertFile), and unzip it. Any sdf files you wish to process should be placed in their own separate folder (e.g., c:\ConvertFile\malaria37), and processed from there. Remember to download and install ChemSketch/ChemBasic if you wish to create images of the molecules.


At 12:48 PM, Blogger biovamps said...

Could you please give the steps to convert this? when I tried to convert a sdf file, it doesn't get converted only the path to the simi file is shown.

At 2:46 PM, Blogger Jean-Claude Bradley said...

To convert an sdf file in general just use OpenBabel - free on SoureForge


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