Article ID: 286 - Last Modified: December 6, 2011
How do I combine a receptor and a ligand from separate files into a file with a single entry for the complex?
You can use one of our scripts, pv_convert.py, available from the Script Center under "Create or Convert Pose Viewer Files":
You need a single file where the receptor is the first entry followed by the ligand (a "pose viewer" file).
You can combine the separate receptor and ligand file into a single file with the
To use the script, type:
$SCHRODINGER/run pv_convert.py -m combined.mae
This will create a combined_complex.mae file with receptor and ligand merged into a single entry. You can use this utility with multiple ligands in the file to create multiple complexes.
Keywords: combine , merge , concatenation
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