Hi,
This should be a very simple problem on renumbering
the residues but I couldn't make it work.
The WRITE_MODEL command did not initiate hence no
output file was produced.
I wonder why...?
Thanks in advance for any help!
here is the top file (modified from one of Andras
posts in 1998) :
SET OUTPUT_CONTROL = 1 1 1 1 1
READ_MODEL FILE = 'model.pdb'
RENAME_SEGMENTS RENUMBER_RESIDUES = 3
WRITE_MODEL FILE = 'renumbered_model.pdb'
(the model.pdb file was generated by Modeller and is
continuously numbered. )
here is the log:
TOP_________> 2 2 READ_MODEL FILE = 'model.pdb'
openf5__224_> Open 11 OLD SEQUENTIAL
model.pdb
Dynamically allocated memory at amaxbnd
[B,kB,MB]: 4574383 4467.171 4.362
openf5__224_> Open 11 OLD SEQUENTIAL
model.pdb
rdatm___297_> Segments, residues, atoms: 1
157 1150
rdatm___298_> Segment: 1 1 1 1150
TOP_________> 3 3 RENAME_SEGMENTS
RENUMBER_RESIDUES = 3
Dynamically allocated memory at finish
[B,kB,MB]: 4574383 4467.171 4.362
=====
Jonathan LS Esguerra
Structural Chemistry
Department of Medical Biochemistry
Gothenburg University, Sweden
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