I would like to use pytables to store the results from the analyses of a
large number of molecular dynamics simulations. The problem is that the
analysis is ongoing, and I don't know what kinds of analysis I will do
from the start. I was thinking I could store the data from each simulation
as a row, and each column would be a separate analysis. Is it possible to
add new columns as I perform new analysis? Here is an example:

class Trajectory(IsDescription):
  name = StringCol(16)
  path = StringCol(16)
  idnumber =
  someAveragedProperty = Float32Col()
  someTimeseries = Float32Col(shape = 2000)

So I run all my analyses and populate the table. Later I decide to
calculate a new timeseries for each simulation and add it to table (so it
would be another column). Is there any way to do this?? Thanks.

Naveen

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Naveen Michaud-Agrawal
Program in Molecular Biophysics
Johns Hopkins University
(410) 614 4435

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