Knowledge Base

Article ID: 517 - Last Modified: May 12, 2011

Ever since I installed Suite 2009 update 1, I find that I cannot import molecules from Spartan. I get a

"WARNING Could not open file for importing"

message. How do I do this?

The problem appears to be that Maestro expects the the third line of the MOLECULE record to contain all five fields. You could either modify the files by hand (or with a script) to add the missing zeroes, or you can use our structconvert or mol2convert utilities to convert to .mae format, then import the .mae file.

You can also use OpenBabel to "intra-convert" (from .mol2 to .mol2) your files to "proper" mol2 format, which also adds the optional records and allows the resulting file to be imported into Maestro.

Keywords: Maestro ,import , mol2 , spartan, structconvert

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