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locsmith / xcamshift

xcamshift - a port of the camshift chemical shift force-field for xplor-nih
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Empty lines in chemical shift restraint files #71

Closed theokara closed 9 years ago

theokara commented 9 years ago

Empty lines in chemical shift restraint files cause a crash

Traceback (most recent call last): File "", line 1, in File "CalcMb2m.py", line 36, in xcamshift.addRestraints(cs) File "/home/bstk/programs/xcamshift/xcamshift/xcamshift/src/xcamshift.py", line 4109, in addRestraints data = Xplor_reader().read(lines) File "/home/bstk/programs/xcamshift/xcamshift/xcamshift/src/shift_io/xplor_reader.py", line 153, in read raise Exception("unexpected expression |%s|" % self.line) Exception: unexpected expression ||

locsmith commented 9 years ago

closed by e2fe663ee14171869901cd1400e8e786f23d65e5