From: Noel O'B. <no...@ca...> - 2006-01-09 12:05:02
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On Sat, 2006-01-07 at 22:26 -0500, Geoffrey Hutchison wrote: > On Jan 4, 2006, at 9:21 AM, Noel O'Boyle wrote: > > > I am trying to read a PDB file into an OBMol with Python but > > without any > > luck. > > Weird. I've been working on making up a test suite in Perl, and > ReadFile works fine there (well, at least on OS X). > > I'll check Python soon. Great - thanks. > Not at the moment. Unfortunately, SWIG doesn't seem to have a good > way to wrap something like Formatpos. Perhaps for the sake of > scripting wrappers, we could add to OBConversion to return a list of > format strings (e.g., as a vector of strings)? > > I'm assuming that would work for you Noel, yes? Yes - anything at all like that would be fine. BTW, where can I put the API documentation (one HTML file) for PyOpenBabel? I was thinking of creating a wiki page for PyOpenBabel (linked to from near of top of the current Python scripting page), and putting a link to the API documentation. > Cheers, > -Geoff |