Can I create a pose viewer file manually, by concatenating Maestro files?

Yes, you can create a pose viewer file manually by concatenating the Maestro file for the receptor and the Maestro file for the ligands, using the following Unix command:

cat receptor.mae ligands.mae > merge_pv.mae

with the appropriate replacements for receptor, ligands, and merge. The receptor file must come first, and must contain only the receptor. Likewise, the ligands file must contain only the ligands.

Note that you should only merge files that are of the same Maestro file format version. You can check by looking at the top of any .mae file, where you should see something like:

{
s_m_m2io_version
:::
2.0.0
}

2.0.0 is the version number in this example.

Keywords: Glide, pose viewer file

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