I have an sdf file which has a property that is sometimes multiple lines. When I try to output that property in the title, something very strange happens. The title for the first molecule with a multi-lined property gets memorized, and then that title gets output for all subsequent molecules which also have a multi-lined property.
I don't know what should happen with multiple line properties, but surely it is not this. :) The attempted behavior of joining the lines with a space seems like a reasonable behavior, but then it should do that for every molecule, not replace the title of subsequent molecules with the title of the first afflicted molecule. I've constructed a sdf file, attached, to demonstrate this. obabel -isdf obabel_test.sdf -ocan --append ' foo1 foo2' C 1 A CC 2 B B CCC 3 C CCCC 2 B B CCCCC 5 E CCCCCC 6 F The title for butane should be "4 D D", not "2 B B" This is version 2.3.2. Any idea what is going on? If I want to dig into the source code myself, where should I start? Cheers, Jeff
obabel_test.sdf
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