Task 408: .MOE File Format

The .MOE file format is a proprietary binary format used by the Molecular Operating Environment (MOE) software from Chemical Computing Group for storing molecular modeling data, such as structures, sessions, or databases. It is not publicly documented, and no detailed specifications, structure, or parsing details are available from open sources.

Without public specifications, I cannot definitively list all intrinsic properties of the format. Based on available descriptions, it is a binary format that supports storing single molecules or more complex data (e.g., 3D structures, conformations, and properties). It can be imported/exported to/from other formats like SDF or MOL2 in MOE software or compatible tools like PyMOL or KNIME extensions, but the internal structure (e.g., header, fields, data blocks) is not disclosed.

No public direct download links for .MOE files were found. The format is proprietary, and samples are typically bundled in MOE tutorial packages ( .svlx files) or require a MOE license to generate/access. You can request an evaluation license from Chemical Computing Group at https://www.chemcomp.com/Download_Request.htm to generate your own .MOE files.

3-7. Without public specifications, I cannot write code to decode, read, write, or parse .MOE files, as that would require reverse-engineering a proprietary format, which is not possible here. If you have access to MOE software, use its built-in tools for handling .MOE files.