FragBuilder: An efficient Python library to setup quantum chemistry calculations on peptide models
1
Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
2
Department of Biology, Bioinformatics Center, University of Copenhagen, Copenhagen, Denmark
- Published
- Accepted
- Subject Areas
- Biochemistry, Computational Biology, Computational Science
- Keywords
- Python, protein, peptides, quantum mechanics, molecular mechanics, computational chemistry, molecular modeling
- Copyright
- © 2014 Christensen et al.
- Licence
- This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
- Cite this article
- 2014. FragBuilder: An efficient Python library to setup quantum chemistry calculations on peptide models. PeerJ PrePrints 2:e169v3 https://doi.org/10.7287/peerj.preprints.169v3
Abstract
Author Comment
This preprint has been updated after peer review, and is merely a copy of our manuscript which has been accepted in PeerJ (currently awaiting production).