Subject: Re: CCL:PDB file editing

From: "Peter Gannett" <[email-masked]>
Date: Wed, 23 Oct 2002 07:23:26 -0400

Alice:

There are ways to do this but, if you don't have a lot of files, the
easiest way is just to edit the pdb file.  Usually, water, ions, etc are
after the solute molecule so just cut a past the solute into a new pdb
file.  We have often done this with pdb files and it works fine.

Pete

>>> Alice NgarKit Ko <[email-masked]> 10/22/02 09:34PM >>>
Hi,
I would like to know if there is an easy way to edit a PDB file.  I
loaded
the structure into VMD for viewing.  There are a lot of water
molecules
that have traveled far from where I wanted them.  I hope I can use
some
program where I can just pick and delete the water molecules and then
write out the remaining atoms to a new PDB file.  If anyone knows how
to
do this, please let me know.  Thank you very much

Alice

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