residues_patch_selectors CENTROID_HA

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    • #2022

        Hi Rosetta guys:)
        Question about seemingly odd behaviour going from local rosetta run (rosetta_2014.16.56682_bundle) to mpi (2014.20.56383.mpi) and of course a slightly newer version of Rosetta3.5 though both are 3.5.

        My normal docking scripts contains the flag
        -residues:patch_selectors CENTROID_HA

        this script runs smoothly.
        When running on mpi I can do regular docking, but when introducing this flag (need it for SAXS runs), rosetta tells me that there is no such command on the top level.

        I have tried to google it, and realizing there is a different place called -chemical:patch_selectors CENTROID_HA.
        Does this mean that my friend CENTROID_HA has moved to a new home in the new version or is this something different?

        Best regards

      • #10398

          First off, neither rosetta_2014.16.56682 nor 2014.20.56383 are “Rosetta3.5” – they’re both weekly releases, which are different from 3.5. (There’s more difference between a weekly release and Rosetta 3.5 than there is between Rosetta 3.5 and Rosetta 3.4.)

          You have it exactly. The flag -residues:patch_selectors was renamed to -chemical:patch_selectors (see, and you were just unlucky enough to pick two releases on opposite sides of the change.

        • #10410

            Hey Moretti. Thank you, very helpful!
            Actually I thought the weekly releases were updates of the current version (that is 3.5).

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