From: Geoffrey H. <ge...@ge...> - 2007-04-17 16:32:43
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On Apr 17, 2007, at 11:07 AM, Nina Jeliazkova wrote: > While reading such files, CDK MDLReader perceives two line breaks > instead of > one and as a result the structure can't be read correctly (if at > all). The > question is - is it correct at all to have both CR and CR/LF and > does it make > sense for MDLReader to be fixed? All sorts of newlines can be found in MDL files (indeed in almost any text file). I've seen cases with Windows/DOS linebreaks like you describe, and then later just old Mac line-breaks (just LF) and then just UNIX line breaks (CR). The only solution we found for Open Babel was to add a filter for all text input that standardizes to UNIX line breaks for everything. This is now implemented in OB-2.1. I'd be more than happy to send you all sorts of strange MDL files if you want. They will shortly go into the Blue Obelisk repository. Cheers, -Geoff |