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jakesylvestre / cing

Automatically exported from code.google.com/p/cing
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Missing salt bridge analysis in revision 837. #257

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
Run 1brv and see no file like:
http://nmr.cmbi.ru.nl/Education/Validation/CINGreports/1y4o.cing/1y4o/Cing/saltb
ridges.txt

E.g. in current (not when you are looking at this):
http://nmr.cmbi.ru.nl/NRG-CING/data/br/1brv/1brv.cing/1brv/Cing

Original issue reported on code.google.com by jurge...@gmail.com on 22 Sep 2010 at 12:11

GoogleCodeExporter commented 9 years ago 
Fixed in revision 840.
by changing:
    project.checkForSaltbridges(toFile)
to:
    project.checkForSaltbridges(toFile=toFile)

Original comment by jurge...@gmail.com on 22 Sep 2010 at 12:44