VMD-L Mailing List
From: hamid mosaddeghi (hamid592004m_at_yahoo.com)
Date: Wed Feb 20 2013 - 18:03:13 CST
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Dear all
I run system with other software and need to edit residue name in final config and trajectory for viewing in VMD correctly
my intial file as pdb format is:
--------------------------------------------------------
ATOM 1 N MET A 1 65.790 57.783 56.121 1.00 0.00 N
ATOM 2 H MET A 1 66.269 57.783 56.976 1.00 0.00 H
..
ATOM 18 N PRO A 2 68.775 58.307 55.730 1.00 0.00 N
..
..
ATOM 34 CA ILE A 3 71.916 60.622 53.014 1.00 0.00 C
..
ATOM 26 H22 PRO A 2 70.325 56.443 57.858 1.00 0.00 H
..
. to 2500 atoms
---------------------------------------
and final file as pdb is:
------------------------------------------
ATOM 1 NH1 DL_ D 1 21.058 -20.202 13.409 0.00 0.00
ATOM 2 H DL_ D 1 20.132 -19.926 13.154 0.00 0.00
..
ATOM 18 N DL_ D 1 22.137 -19.790 12.636 0.00 0.00
..
..
ATOM 34 CA DL_ D 1 22.800 -19.323 13.327 0.00 0.00
..
ATOM 26 H22 DL_ D 1 23.399 -21.551 12.838 0.00 0.00
..
..
. to 2500 atoms
----------------------------------
I need change atome name,DL_D residue name and number in final file to intial file. do some bod help to me?
I used pdbeditor but this work is not possible. have vmd tools for this pupose?
any suggestion will be appreciated.
Thanks
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