ajeeta kaushiki wrote:
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 .
By default Modeller does not read HETATM records from the template PDB files. You need to set env.io.hetatm = True. See http://salilab.org/modeller/9v1/manual/node18.html for an example.
Can I add ATP in 1 of the template only .
Your alignment sequence must match the PDB. But you can choose which of the template HETATMs to transfer into your final model by creating an appropriate alignment (e.g. to get ATP from template 1, add an ATP to your model sequence and align it only with template 1, not with template 2).
Ben Webb, Modeller Caretaker -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage