Re: CCL:Hydrogens in InsightII

I think the simplest way would be to use in InsightII Molecule | Display
 and turn off the display of the hydrogens.  Then go to Molecule | Put with
 the Displayed toggle on.  Only the visible atoms are written to the file
 and you retain your original structure.
 Though your suggestion will certainly work if the file is already created.
 Jeff
 --
 Jeffrey L. Nauss, Ph.D.
 Manager, Discovery Studio Training
 Accelrys Inc.
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 "Peter Gannett" <pgannett.-at-.hsc.wvu.edu>
 Sent by: "Computational Chemistry List"
 <chemistry-request.-at-.ccl.net>
 09/19/2003 04:49 AM
 To
 <chemistry.-at-.ccl.net>, <fyd.-at-.u-picardie.fr>
 cc
 Subject
 CCL:Hydrogens in InsightII
 Francois:
 It would probably be easier to write the pdb file and then use the egrep
 command with the -v option, which can be used to exclude all lines
 containing hydrogens, and then dump it to a new file.
 Pete Gannett
 >>> FyD <fyd.-at-.u-picardie.fr> 09/18/03 08:24PM >>>
 Dear All,
 I would interested in knowing 'the command' in insightII which allows to
 automatically REMOVE all the hydrogens (of an oligonucleotide) in order to
 save
 the structure (to the PDB format) without these hydrogens, keeping only
 the
 heavy atoms.
 Thanks, regards, Francois
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