User e7455c8684
11-11-2008 19:08:44
How do I construct a new macromolecule on the fly instead of from a pdb file?
I do have the coordinates, residue types, etc.
I noticed there is a constructor for Macromolecule, but the documentation is limited:
It doesn't mention what should be put into the Hashtables.
thanks.
I do have the coordinates, residue types, etc.
I noticed there is a constructor for Macromolecule, but the documentation is limited:
Code: |
MacroMolecule(int modelCount, java.util.Hashtable chains, int[] residueCountPerChain, int[] atomCountPerChain, java.util.Hashtable heteroGroups, int[] atomCountPerHeteroGroup) Creates an empty MacroMoleculeobject. |
It doesn't mention what should be put into the Hashtables.
thanks.