Dears,
we have an unexplained problem when using the SEQUENCE_TO_ALI command:
only the first residue of the MODEL (template) file is transfered to the
alignment array, e.g if we
write an alignment file, only the first residue appears, though the
right number of residues is written by
the program (the second line of the alignment file includes the first
and last residue number of my
pdb file). Here is an example of the output i get when try to test this
command on 5fd1:
>P1;all
structureX:all: 1 : : 106 : :undefined:undefined:-1.00:-1.00
A*
I would like to precise that we get this problem when using the example
loop routine, as well as when
simply testing the command e.g:
READ_MODEL FILE = '5fd1.ent'
SEQUENCE_TO_ALI
WRITE_ALIGNMENT FILE='5fd1.ali'
What did we do wrong?
Regards.
Michel Giorgi
Lab. Cristallochimie
Fac. St. Jerome, Marseille, France