Now showing items 1-2 of 2

    • ACPYPE - AnteChamber PYthon Parser interfacE 

      Sousa da Silva, Alan W; Vranken, Wim F (2012-07-23)
      AbstractBackgroundACPYPE (or AnteChamber PYthon Parser interfacE) is a wrapper script around the ANTECHAMBER software that simplifies the generation of small molecule topologies and parameters for a variety of molecular ...
    • Relationship between chemical shift value and accessible surface area for all amino acid atoms 

      Vranken, Wim F; Rieping, Wolfgang (2009-04-02)
      Abstract Background Chemical shifts obtained from NMR experiments are an important tool in determining secondary, even tertiary, protein structure. The main repository for chemical shift data is the BioMagResBank, which ...