reading multiple trajectory files about mdanalysis

[GoogleCodeExporter]

Add the moment you can only manually load new trajectories:

 u = Universe(psf, dcd1)
 do_analysis(u)
 for dcd in dcd2, dcd3, ...:
    u.load_new(dcd)
    do_analysis(u)

I thin we should have something so that Universe accepts a list of filenames 
instead of a single dcd and then magically reloads the next one until it has 
exhausted all dcds.

Will have to think about how to do this.

Thanks for the feedback.

Original comment by orbeckst on 27 Aug 2010 at 3:16

• Changed state: Accepted
• Added labels: Type-Enhancement
• Removed labels: Type-Defect

[GoogleCodeExporter]

Original comment by orbeckst on 27 Aug 2010 at 3:17

[GoogleCodeExporter]

Added a basic "Chained trajectory reader" in r414. Use it as

  u = Universe(PSF, [DCD_1, DCD_2, DCD_3, ...])

i.e. supply a list of filenames instead of a single filename. Then use as usual

  for ts in u.trajectory:
     print ts.frame
     # do per-frame analysis...

Note that only simple iteration over frames is working at the moment and no 
trajectory indexing or slicing or correl functions.

Please reopen this issue if any of this is needed.

Original comment by orbeckst on 30 Aug 2010 at 8:45

• Changed state: Fixed