[MMTK] Extracting atom coordinates
David Evans
david.evans at ulsop.ac.uk
Fri Jun 3 12:20:11 CEST 2005
Hi,
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
Dave
--
David Evans
School of Pharmacy
University of London
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