Hi there ...
I have a 6GB sdf file and after I process it I find the following in my sys
err
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
[18:16:42] bond with order 0 found. This is not part of the MDL
specification.
<snip>
is it possible to have a line number or an indication of which molecule
these warnings are referring to?
This is done elsewhere and is really useful to diagnose problems
(e.g. ERROR: on line 9901 Cannot convert to int)
-
Jean-Paul Ebejer
Early Stage Researcher
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