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[modeller_usage] Modeller API
- To: modeller_usage@listsrv.ucsf.edu
- Subject: [modeller_usage] Modeller API
- From: "James Irving" <james.irving AT med.monash.edu.au>
- Date: Sun, 4 Jan 2009 16:50:23 +1100
Hi,
I have written a number of functions in C++ for structural analysis that I was hoping to interface with Modeller via the Modeller API. Specifically, I want to transfer coordinates backwards and forwards between a 'model' object and an external representation of coordinate data without having to write out a PDB file and then re-read it in in either direction, to avoid slow and unnecessary I/O and string conversion. Is this possible? From the structs in mod_types.h it looks as though it should be, but would it suffice to read and write into mod_model.mod_coordinates and mod_model.mod_sequence (my_model.cd.[x,y,z etc.] and my_model.seq.[irestyp, etc.])? If anyone has some code (in any language) or suggestions about the best way to go about this, I would greatly appreciate it.
Thanks!
James