right, the filter syntax is intentionally very simple and not very
sophisticated. I wonder if allowing a filter specifically for HETATM would
work -- true it would allow water and other solvent-related atoms in, but
that might not be so bad. It's possible that we could adapt the filter to
allow some minimal amount of and/or logic.
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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
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