VMD-L Mailing List

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Thu Jan 24 2008 - 04:44:40 CST

Dear VMD users,

I have a pdb structure with a periodic box created by VMD from an amber
topology and coordinates. The waters after 9999 are numbered with
hexadecimal numbers ...

Now I run the following ....

mol new orig.pdb type pdb
set sel [atomselect 0 "same residue as {resname WAT and within 4 of
resid 411 423}"]
$sel writepdb test.pdb

Is there a way to make VMD preserve either the atom index or the
hexadecimal residue number from the orig.pdb to the test.pdb files ?

Thanks a lot for answering

Vlad

P.S. The three lines script is just an example .. the file test.pdb
contains a much larger number of ATOMs than suggested by this example ... 

-- 
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Dr. Vlad Cojocaru
EML Research gGmbH
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Tel: ++49-6221-533266
Fax: ++49-6221-533298
e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de
http://projects.villa-bosch.de/mcm/people/cojocaru/
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