TRANSFER_RES_NUMB -- residue numbers from MODEL2 to MODEL

ALIGN_CODES = <string:2>

'all'

MODEL2 code, MODEL code

Requirements:

MODEL & MODEL2 [& alignment]

Description:

This command transfers residue numbers and chain ids from MODEL2 to MODEL. It uses the current alignment if present, otherwise a 1:1 correspondence is assumed. MODEL2 and MODEL must correspond to the first and second protein in the alignment, respectively. The ALIGN_CODES variable is used only for output to the log file, not in the calculation. Both MODEL and MODEL2 must already be in memory.

Example:

# Example for: TRANSFER_RES_NUMB

# This will transfer residue numbers and chain ids from model2 to model.

SET OUTPUT_CONTROL = 1 1 1 1 0

# Optionally, read an alignment for the transfer (otherwise 1:1 is assumed):
READ_ALIGNMENT FILE = 'toxin.ali', ALIGN_CODES = '2ctx' '1fas'
# Read the template and target models:
READ_MODEL2 FILE = '2ctx'
READ_MODEL  FILE = '1fas'
# Transfer the residue and chain ids and write out the new MODEL:
TRANSFER_RES_NUMB
WRITE_MODEL FILE = '1fas.ini'