Import and JOIN multiple sdf files??

Can I import and join multiple sdf file in IJChem or Marvin?  These files were created by splitting a large database, but now i want to re-join these files back to the original full-sized database?  Much of the freeware does the splitting, but no the joining back....or am I wrong here? Kind of a newbie!!!

 

EDIT: forgot to mention, I know that I can import them into IJChem individually and "import into selected databse" but can i join them all at once?

Yes, you can import each file into the same table, but you need to do this one by one. There is no way to do it all in one go.

I think it would be fairly simple to write a script that combined the individual SD files into one single file that could then be imported.

Tim

tdudgeon wrote:

Yes, you can import each file into the same table, but you need to do this one by one. There is no way to do it all in one go. I think it would be fairly simple to write a script that combined the individual SD files into one single file that could then be imported. Tim

Thanks Tim.,

I am not a very programming/scripting savvy guy.  Is there any help you can give me on the scirpt?

Much appreciated.

 

EDIT: I think I may have it with molconvert.bat in Windows...seems to work on test files !!!!

For SDF files the process should be very simple. You can just concatenate the files into a single file. There are no special headers of footers that need to be handled. This will not be the case for all file fromats (e..g MRV or RDF).

So on Unix or Mac you can just use:

cat file1.sdf file2.sdf file3.sdf > joined_file.sdf

or even

cat *.sdf > joined_file.sdf

On windows I believe you can use the copy command like this

cat file1.sdf+file2.sdf+file3.sdf joined_file.sdf

But I haven't tried this to confirm, and I'm not sure is you can use wildcards.

Tim