AMBER Archive (1999)

Subject: residue (re)numbering in leap.

From: Tom Bishop (bishop_at_tcs.tulane.edu)
Date: Thu Jul 15 1999 - 09:16:00 CDT


Dear amber users,

I noticed that when I load a pdb file into tleap/xleap and then save it
that the residue numbers (a.k.a sequence numbers) get renumbered such
that the first residue is residue number 1. (This is as described in the
manual).
Is there a way to preserve the original residue numbering as listed in
the PDB? Or is there a set command
that allows me to reassign the proper residue numbers?

This will make analysis easier and less error prone since I won't have
to map between the biologically relevant residue numbers to amber's
residue numbering.

Thanks in advance,
Tom

-- 
-----------------------------------------
Center for Bioenvironmental Research
-----------------------------------------
Tulane University Office
-----------------------------------------
Dept. of Environmental Health Sciences(SL-29)
School of Public Health & Trop. Medicine
1430 Tulane Avenue
New Orleans, LA 70112
Phone: 504-988-6203   Fax: 504-585-6428 
Thomas.Bishop_at_tulane.edu
-----------------------------------------
Xavier University Office
-----------------------------------------
Division of Basic Pharmaceutical Sciences
College of Pharmacy
7325 Palmetto Street
New Orleans, LA 70125
Phone: 504-485-5106   Fax: 504-485-7930
Thomas.Bishop_at_xula.edu
-----------------------------------------