trunk/
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1242
(10 years ago)
by jmduarteg:
Fixed bug: NACCESS (weirdly) calculates slightly different ASA values for same molecule in different orientation (i.e. it depends on the choice of axes)!! That produces then some strange BSA values (including some negative) and slight discrepancies. Thus now we run NACCESS always for each of the 2 isolated molecules of the interface and then the complex (and so losing efficiency).
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tags/
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1003
(10 years ago)
by hstehr:
tagging OWL 1.2.0 in sync with CMView 1.2.0 before major refactoring
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branches/
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924
(11 years ago)
by winkelma:
merged trunk into branch
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