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.

Bill

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber