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Charles Greenberg edited this page Feb 28, 2016 · 1 revision

February PMI Meeting

Attendance: Charles, Seth, Ignacia, Shruthi, Ilan, Ben, Daniel

Macros

BuildSystem replaces BuildModel / BuildModel0 and BuildModel1 macros.

Topolog

Now supports rigid bodies Support for nucleic acids. Flag so that it expects a NA sequence.

DOF

Support for nuisance movers.
xl_restraint.add_movers(dof)

Tools

input_adaptor() takes PMI2 objects and returns lists of hierarchies

Restraints

How to implement restraints in PMI? Put in developers guide. Restraint base class? Sample PMI restraint?

EM restraint allows for fitting map-inside-a-map. "

Analysis

Need to do a bunch of stuff. First, make tests to see what existing code works.

  • Clustering
  • Localization Densities
  • XL Violations
  • Convergence
  • Precision
  • Jackknifing

Other stuff

In general, make only macros be available to the user (especially in sampling), and put everything else as internal. People don't care about it. (but what if they do? Any easy way to change it or just build their own)

TESTS!

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