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RENAME_SEGMENTS -- rename MODEL segments

SEGMENT_IDS = <string:0> '' new segment ids
RENUMBER_RESIDUES = <integer:0> starting residue index for renumbering residues

Requirements:
MODEL

Description:
This command re-labels residue numbers in each chain (i.e., segment) so that they start with RENUMBER_RESIDUES[iseg]. In addition, the single character PDB chain id's are also assigned: They are obtained from the corresponding elements of SEGMENT_IDS. Thus, there should be as many elements in SEGMENT_IDS and RENUMBER_RESIDUES as there are chains in the current MODEL.

Example:


# Example for: RENAME_SEGMENTS

# This will assign new PDB single-character chain id's to all the chains
# in the input PDB file (here there are two 'chains': protein and the HETATM
# water molecules).

# Read the MODEL with all HETATM and water records (so there are two 'chains'):
READ_MODEL FILE = '1fas', HETATM_IO = on, WATER_IO = on
# Assign new segment names and write out the new model:
RENAME_SEGMENTS SEGMENT_IDS = 'X' 'Y'
WRITE_MODEL FILE = '1fas.ini'



Ben Webb 2004-10-04