How to change a pdb file's chain id without renumbering the residues using Modeller?
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Subject: How to change a pdb file's chain id without renumbering the residues using Modeller?
From: "Kong Lesheng" <>
Date: Tue, 7 Jan 2003 21:33:58 +0800
Cc:
Hi,
I have successed done this under Modeller 4.
But under Modeller 6v2, the old script doesn't work.
My top file is as follow:
READ_MODEL FILE = 'xenl.pdb'
RENAME_SEGMENTS SEGMENT_IDS = 'X', RENUMBER_RESIDUES = off
WRITE_MODEL FILE = 'xenl.mol', HETATM_IO = on
The log file reported that
assgn___547E> Incorrect element type for variable: RENUMBER_RESIDUES
Element, element type: OFF 4
Command line: RENAME_SEGMENTS SEGMENT_IDS = 'X', RENUMBER_RESIDUES = OFF
assgn___525E> Error in TOP variable assignment.
compile_563E> Please correct the errors reported above and rerun MODELLER.
recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
I have checked the libary file top.ini in modeller4 and modeller6v2 about RENUMBER_RESIDUES.
Under modeller4 ,
64 LOGICAL RENUMBER_RESIDUES 1 on # whether to renumber residues from 1 to N
Under modeller6v2,
41 INTEGER RENUMBER_RESIDUES 0 # starting residue index for renumbering residues
Is it possible to change a pdb file's chain id without renumbering the residues ?
Thank you very much!
With best regards,
Lesheng