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csb 1.2.0

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Downloads: 49
Change Set: 53c17179686b
Released: Jun 20, 2013
Updated: Jun 20, 2013 by kalev
Dev status: Stable Help Icon

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Source Code csb-1.2.0
source code, 5381K, uploaded Jun 20, 2013 - 49 downloads

Release Notes

New features and API changes

  • csb.bio.io.wwpdb
    • New, highly granular AbstractStructureParser model. It is now possible to create customized PDB parsers with minimal effort, maximazing code reuse.
    • Robust mapping of PDB ATOM records. PDB parsers can now switch to a failsafe sequence alignment-based strategy when needed. All PDB structures are therefore parsable in this release.
  • csb.bio.structure
    • New property: Residue.is_modified --- to distinguish between canonical and modified residues.
    • New property: Residue.label --- stores the original PDB label of modified residues.
  • csb.bio.sequence.alignment
    • Added an extensible sequence alignment object model.
    • Implemented local and global alignment.
  • csb.bio.nmr
    • Added support for chemical shifts, NOE spectra and contact maps.
  • csb.bio.io.cs, csb.bio.io.noe
    • Implemented basic chemical shift and NOE parsers.

Apps

  • csfrag: compile libraries of analogous fragments using chemical shifts (new app).
  • hhfrag: use CSfrag libraries for gap filling.
  • hhfrag: perform prediction of torsion angles from fragment centroids.

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