AMBER Archive (2009)
Subject: Re: [AMBER] ambpdb water removal for rst files
From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Sun Dec 06 2009 - 14:03:00 CST
>> > 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
>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.
Nice but maybe not essential?
> maybe it s posible to strip waters from .rst file and then convert it to PDB.
Ideally someone (it could be you) would add a -nowat option to
ambpdb to do the right thing.
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