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A.J.Pemberton wrote,
> Dear users, > >I have set my steering file to activate the HETATM usage (modeller 4): > >SET TOPOLOGY_MODEL = 1, HETATM_IO = on, HYDROGEN_IO = on, WATER_IO = on > >as per FAQ question 15 > >but modeller is not giving me HETATMs is the pdb output, why? > >Regards, > >Tony > >********************************************************************* >Mr. A.J.Pemberton Tel: +121-414-3388 >c/o Dept. Rheumatology, Fax: +121-414-3982 >Medical School, E-mail: A.J.Pemberton@bham.ac.uk >The University of Birmingham, >Birmingham B15 2TT. >U.K. >*********************************************************************
I have the same problem !!!
Antonello Romani
___________________________________________________________________________ Antonello Romani Istituto di Patologia Generale Plesso Biotecnologico Integrato Facolta' di Medicina e Chirurgia Universita' degli Studi di Parma via Volturno 39 43100 Parma
Tel: +39 0521 903 764 Fax :+39 0521 903 742
E-Mail : A.Romani@leonardo.biomed.unipr.it
___________________________________________________________________________
It should work, though it is difficult to know what is going on without the input files. Are there HETATM residues in the target sequence in the alignment file? The output PDB file with the model corresponds to the target sequence in the alignment file. Usually, the HETATM residues in the model are based on the HETATM residues in the template PDB file, though not necessarily, so there should probably also be HETATM records in the template files.
If this does not help, please email the input files (uuencoded compressed tar archive of the whole directory is the easiest solution) to me.
Best, Andrej
> > -------- > > A.J.Pemberton wrote, > > > Dear users, > > > >I have set my steering file to activate the HETATM usage (modeller 4): > > > >SET TOPOLOGY_MODEL = 1, HETATM_IO = on, HYDROGEN_IO = on, WATER_IO = on > > > >as per FAQ question 15 > > > >but modeller is not giving me HETATMs is the pdb output, why? > > > >Regards, > > > >Tony > > > >********************************************************************* > >Mr. A.J.Pemberton Tel: +121-414-3388 > >c/o Dept. Rheumatology, Fax: +121-414-3982 > >Medical School, E-mail: A.J.Pemberton@bham.ac.uk > >The University of Birmingham, > >Birmingham B15 2TT. > >U.K. > >********************************************************************* > > > I have the same problem !!! > > > Antonello Romani > > > > > ___________________________________________________________________________ > Antonello Romani > Istituto di Patologia Generale > Plesso Biotecnologico Integrato > Facolta' di Medicina e Chirurgia > Universita' degli Studi di Parma > via Volturno 39 > 43100 Parma > > Tel: +39 0521 903 764 > Fax :+39 0521 903 742 > > E-Mail : A.Romani@leonardo.biomed.unipr.it > > > ___________________________________________________________________________ >