Hi..

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 ? a.make() File "/nfs/condor/home/ajeeta/bin/modeller9v1/modlib/modeller/automodel/automodel.py", line 108, in make self.homcsr(exit_stage) File "/nfs/condor/home/ajeeta/bin/modeller9v1/modlib/modeller/automodel/automodel.py", line 416, in homcsr aln.check() File "/nfs/condor/home/ajeeta/bin/modeller9v1/modlib/modeller/alignment.py", line 154, in check libs=self.env.libs.modpt) _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) Alignment KELLSEPESLYSYLYQLQSD@ PDB KELLSEPESLYSYLYQLQSD Match ********************

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 Modeller 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):

Please help.

Thanks and Regards

Ajeeta kaushiki JNU