On Friday 04 May 2007 01:10 am, Ingo P. Korndoerfer wrote: > but i think i would be willing to put up with having to add another 10 > lines to my <add your favourite shell here> scripts to process mmcif, if > that allows me to take home all the other advantages. > > the biggest problem at this point is, as far as i know (and this is also > what the above website states), that my favourite refinement program > does not really work with anything but pdb, so i am not really sure > whether it is the users who are reluctant to use mmcif (as above website > states) ... > > wouldn't it be nice to try and teach our favourite refinement programs > mmcif ?
Yes it would. With this in mind, I'd like to donate the mmCIF parsing code that I had written to integrate mmCIF parsing into XtalView into the general community. The code is written in C and can be downloaded at: http://www.scripps.edu/~cdputnam/software/mmcif/ The core library is program agnostic and operates like a lot of XML parsers to build a document object model (DOM) using a finite state machine. Glue code (like the XtalView examples) can then browse the DOM for the appropriate mmCIF datablocks/entries/lists and extract the values into the appropriate structures for the program of interest. Chris. -- Christopher Putnam, Ph.D. Ludwig Institute For Cancer Research Cellular and Molecular Medicine East, Room 3019 9500 Gilman Drive La Jolla, CA 92093-0660 USA
