Journal
PEERJ
Volume 1, Issue -, Pages -Publisher
PEERJ INC
DOI: 10.7717/peerj.80
Keywords
Protein structure; Molecular modeling; Computational biology; Model peptides
Categories
Funding
- NIH grant [R01 GM088344]
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We present a simple Python library to construct models of polypeptides from scratch. The intended use case is the generation of peptide models with pre-specified backbone angles. For example, using our library, one can generate a model of a set of amino acids in a specific conformation using just a few lines of python code. We do not provide any tools for energy minimization or rotamer packing, since powerful tools are available for these purposes. Instead, we provide a simple Python interface that enables one to add residues to a peptide chain in any desired conformation. Bond angles and bond lengths can be manipulated if so desired, and reasonable values are used by default.
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