I am doing advance modelling with multiple template . I have to add ATP ang
Mg in my structure . I am trying to add @ , $ for the purpose ,ATP hetero
atom is present in the template even though its giving error .
Can I add ATP in 1 of the template only .
The error is -
File "model_mult.py", line 9, in ?
line 108, in make
line 416, in homcsr
154, in check
_modeller.error: rdabrk__337E> Structure not read in...
The log file is -
runcmd______> alignment.append(align_codes=['2FFAA', '1XEFA', '2FFBA',
'CaNBD'], atom_files=, file='CaNBD-mult.ali', (def)remove_gaps=True,
(def)alignment_format='PIR', (def)rewind_file=False, (def)close_file=True)
read_te_290E> Number of residues in the alignment and pdb files are
different: 242 241
For alignment entry: 2 1XEFA
x (mismatch at alignment position 242)
Please check your alignment file header to be sure you correctly specified
the starting and ending residue numbers and chains. The alignment sequence
must match that from the atom file exactly.
Another possibility is that some residues in the atom file are missing,
perhaps because they could not be resolved experimentally. (Note that
reads only the ATOM and HETATM records in PDB, NOT the SEQRES records.)
In this case, simply replace the section of your alignment corresponding
to these missing residues with gaps.
read_te_288W> Protein not accepted: 2 1XEFA
rdabrk__337E> Structure not read in (please consult the log file
for more details):
Thanks and Regards