[MMTK] Extracting atom coordinates

David Evans david.evans at ulsop.ac.uk
Fri Jun 3 12:20:11 CEST 2005


So this is probably really easier, but I can't figure it out
after an hour's messing around, referring to the documentation:

I have read in a DNA duplex from a pdb file, using

configuration = PDBConfiguration('nuc_H.pdb')
                                              universe = InfiniteUniverse()
universe.addObject(configuration.createAll(None, 1))

How do I print out the coordinates of one
particular atom, referred to by atom name and residue name or number?
eg DT8:O2

Thank you

David Evans
School of Pharmacy
University of London

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