Hi all,
 
I'm tring to align an amino acid sequence with a protein (solved by X-ray)
which conteins 6 chains in its PDB file.
for my job I use the script:
 
>SET ATOM_FILES_DIRECTORY = './../atom_files'
>READ_MODEL FILE = '1icf.pdb'
>SEQUENCE_TO_ALI ALIGN_CODES = '1icf', ATOM_FILES = '1icf'
>READ_ALIGNMENT FILE = 't.ali', ALIGN_CODES = ALIGN_CODES 't', ADD_SEQUENCE = ON
>ALIGN2D
>WRITE_ALIGNMENT FILE='t-1fh0.ali', ALIGNMENT_FORMAT='PIR'
>WRITE_ALIGNMENT FILE='t-1fh0.pap', ALIGNMENT_FORMAT='PAP  
 
but it don't work end the output is:
 
>iatmcls_286W> MODEL atom not classified:  THR:OT1  THR
>iatmcls_286W> MODEL atom not classified:  THR:OT2  THR
>iatmcls_286W> MODEL atom not classified:  VAL:OT1  VAL
>iatmcls_286W> MODEL atom not classified:  VAL:OT2  VAL
>iatmcls_286W> MODEL atom not classified:  THR:OT1  THR
>iatmcls_286W> MODEL atom not classified:  THR:OT2  THR
>iatmcls_286W> MODEL atom not classified:  VAL:OT1  VAL
>iatmcls_286W> MODEL atom not classified:  VAL:OT2  VAL
>iatmcls_286W> MODEL atom not classified:  SER:OT1  SER
>iatmcls_286W> MODEL atom not classified:  SER:OT2  SER
>iatmcls_286W> MODEL atom not classified:  SER:OT1  SER
>iatmcls_286W> MODEL atom not classified:  SER:OT2  SER
>read_al_375E> Unknown residue type,position,sequence:          1        2
>recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1
 
any ideas?
 
Thanks!
 
G.
**********************************
 
  Dr. Gianluca Croce
  Ph.D. Student
  DISTA - University Amedeo Avogadro
  Corso Borsalino 54-15100 Alessandria-Italy
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