From: Robert H. <ha...@st...> - 2013-01-18 22:26:26
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Where does THIS come from? Hex code in a PDB file? Is that spec? ATOM 99998 H1 TIP3W3304 -28.543 60.673 40.064 1.00 0.00 WT5 H ATOM 99999 H2 TIP3W3304 -27.773 60.376 41.353 1.00 0.00 WT5 H ATOM 186a0 OH2 TIP3W3305 -24.713 61.533 47.372 1.00 0.00 WT5 O ATOM 186a1 H1 TIP3W3305 -25.652 61.772 47.519 1.00 0.00 WT5 H ATOM 186a2 H2 TIP3W3305 -24.713 61.625 46.379 1.00 0.00 WT5 H Bob -- Robert M. Hanson Larson-Anderson Professor of Chemistry Chair, Chemistry Department St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |