Hi all. I'm using the rmf file support to write coordinates of my optimization run. I set up the rmf file in this way
rh = RMF.create_rmf_file("traj.rmf") IMP.rmf.add_hierarchy(rh, self.prot)
and then at each step "i" I save the coordinates in the file
for i in range(10000): mc.optimize(100) IMP.rmf.save_frame(rh,i)
Now, the resulting rmf file for my system has a size of about 100 KB per frame, which is only slightly lower than the 120 KB per frame of an appended pdb file. (My optimization run saves 100000 frames, which makes about 10 GB for the rmf). How is it possible that a binary file is that bulky? For comparison, a dcd trajectory frame only occupies 18 KB, for the same system.
Am I doing something wrong?
cheers
Riccardo
File size hasn't been something I've been paying much attention to of late and there are a number of things with how the data sets are saved that can be tweaked to attempt to shrink it (and some things that ended up disabled after tracking down a bug in the HDF5 libraries). I'll take a look shortly (if you could send me one of your files that could be helpful too). --Daniel
On Jul 5, 2012, at 12:00 PM, Riccardo Pellarin wrote:
> Hi all. I'm using the rmf file support to write coordinates of my > optimization run. > I set up the rmf file in this way > > rh = RMF.create_rmf_file("traj.rmf") > IMP.rmf.add_hierarchy(rh, self.prot) > > and then at each step "i" I save the coordinates in the file > > for i in range(10000): > mc.optimize(100) > IMP.rmf.save_frame(rh,i) > > Now, the resulting rmf file for my system has a size of about 100 KB per frame, > which is only slightly lower than the 120 KB per frame of an appended pdb > file. (My optimization run saves 100000 frames, which makes about 10 GB > for the rmf). How is it possible that a binary file is that bulky? > For comparison, a dcd trajectory frame only occupies 18 KB, for the > same system. > > Am I doing something wrong? > > cheers > > Riccardo > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev
participants (2)
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Daniel Russel
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Riccardo Pellarin