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David Hall edited this page Sep 17, 2013 · 7 revisions

Goals for the next version of libmol

  • Separate loading atoms prm from loading pdb
  • specifically, this means read_pdb_nopar should be the default behavior
  • separate function to attach atoms prm to an atomgrp should be created
  • Mutations?
  • Linux Kernel Coding Standards
  • uniform interfaces for object creation, freeing/destroying, and copying
  • Read all information from a pdb ATOM line necessary to write out a pdb ATOM line
  • Lab contribution directly to open source libmol (requires lab separation of proprietary libgrid and open source libmol)
  • Unit testing, make use of continuous integration tools that give free testing to open source projects
  • streaming

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