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-govs-include no longer present? #603

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BartBruininks opened this issue Jun 14, 2024 · 2 comments
Closed

-govs-include no longer present? #603

BartBruininks opened this issue Jun 14, 2024 · 2 comments

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@BartBruininks
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Dear martinizers,

We have been working on an alternative Go implementation and it is currently in publication, however, when I try to run our scripts with the current Martinize2 it seems the -govs-include flag does not exist anymore. We have a custom script that allows for arbitrary copy numbers for homooligomers. Is there a suggested workaround or are we now stuck at an older version (if so, which one?). It would be nice if the old behavior would still be supported.

PREVIOUSLY WORKING COMMAND:
martinize2 -f protein.pdb -o output.top -x protein_cg.pdb -dssp /path/to/dssp -p backbone -ff martini3001 -govs-include -govs-moltype protein_name -scfix

@pckroon
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pckroon commented Jun 14, 2024

-govs-include has been superseded by -go, with changed semantics in #550. The previous flag will not be restored.
I strongly suggest adapting your new model to the new flags, since it'll be better for your sanity.

@pckroon pckroon closed this as completed Jun 14, 2024
@BartBruininks
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Yhea I was on the same track.

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