AMBER Archive (2009)

Subject: Re: [AMBER] ambpdb water removal for rst files

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This just removes the WAT strings. This is ok, but just it would be nice not to have more than 10000 of TER in the file after this. maybe it s posible to strip waters from .rst file and then convert it to PDB.

22.08.09, 19:45, "Bill Ross" :

> > is it possible to strip water from .rst file just by ambpdb command
> > directly from .rst file?
>
> If you want a pdb, generate it then
>
> % egrep -v WAT first.pdb > dry.pdb
>
> Bill
>
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• Previous message: Bill Ross: "Re: [AMBER] COOH group troubling"
• Maybe in reply to: Andrew Voronkov: "[AMBER] ambpdb water removal for rst files"
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