FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models
We present a powerful Python library to quickly and efficiently generate realistic peptide model structures. The library makes it possible to quickly set up quantum mechanical calculations on model peptide structures. It is possible to manually specify a specific conformation of the peptide. Additio...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
PeerJ Inc.
2014-03-01
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| Series: | PeerJ |
| Subjects: | |
| Online Access: | https://peerj.com/articles/277.pdf |