Hi,
I have some problem in understanding how the new writers work.
I'm using the CMMwriter like, writing out only the final model (frame): > # Setup a CMM writer > writer = IMP.display.CMMWriter("model.%1%.cmm") > log = IMP.display.WriteOptimizerState(writer) > g = IMP.display.XYZRsGeometry(ps) > log.add_geometry(g) > log.update()
This generates the model file with the coordinates (each line is a chimera marker) and a file called "model.%1%.cmm", which only contains the header line: <marker_set name="model.0.cmm">
This header should be in the model file, but since it is missing it causes a problem with chimera. Is there a way to get rid of the model.%1%.cmm file so that to have just one file containing all the informations? I've tried without the %1% string: > writer = IMP.display.CMMWriter("model.1.cmm")
but that rises the error: > e = o.do_optimize(steps) > File "/usr/src/imp/trunk/build/lib/IMP/core/__init__.py", line 4338, in do_optimize > return _IMP_core.MonteCarlo_do_optimize(self, *args) > _IMP.InternalException: Cannot set frame on writer without file name pattern.
Thanks, Davide
-- Davide Baù Structural Genomics Laboratory Bioinformatics & Genomics Department, Prince Felipe Research Center Avda. Autopista del Saler 16, 46012 Valencia, Spain Tel: +34 96 328 96 80 (ext. 1004) Fax: +34 96 328 97 01 email: dbau@cipf.es web: http://bioinfo.cipf.es/dbau/
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