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Article ID: 714 - Last Modified:

I would like to combine 10 pv.mae files. It seems that glide_sort -o writes out the best-scoring poses. However, I want all poses, not just the best-scoring pose files. How do I do this?

The -o output-file description in the glide_sort usage message refers to the 'best-scoring' poses subject to the limitations of other options (e.g., '-n', '-best*'). If you don't use these options to limit the number of poses reported, all the poses from the 10 pose viewer files will be retained in the output file.

If you're merging pose-viewer files (i.e., each file is already sorted internally), you can use glide_merge to combine the files:

$SCHRODINGER/utilities/glide_merge -o out_pv.maegz -r out.rept file1_pv.maegz file2_pv.maegz...

Keywords: best-scoring poses, glide_merge, combine pv files, Glide

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