Re: [AMBER] ambpdb water removal for rst files

From: Bill Ross <>
Date: Sun, 6 Dec 2009 12:03:00 -0800 (PST)

>> > 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.


AMBER mailing list
Received on Sun Dec 06 2009 - 12:30:02 PST
Custom Search