SPyCi-PDB: A modular command-line interface for back-calculating experimental datatypes of protein structures

Zi Hao Liu^{1

2}, Oufan Zhang^{3

4}, João M C Teixeira⁵, Jie Li^{3

4}, Teresa Head-Gordon^{3

4

6

7}, Julie D Forman-Kay^{1

2}

Affiliations

¹ Molecular Medicine Program, Hospital for Sick Children, Toronto, Ontario M5G 0A4, Canada.
² Department of Biochemistry, University of Toronto, Toronto, Ontario, M5S 1A8, Canada.
³ Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720-1460, USA.
⁴ Department of Chemistry, University of California, Berkeley, California 94720-1460, USA.
⁵ Department of Biomedical Sciences, University of Padova, Padova 35131, Italy.
⁶ Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720-1462, USA.
⁷ Department of Bioengineering, University of California, Berkeley, California 94720-1762, USA.

Zi Hao Liu et al. J Open Source Softw. 2023.

. 2023;8(85):4861.

doi: 10.21105/joss.04861. Epub 2023 May 10.

Zi Hao Liu^{1

2}, Oufan Zhang^{3

4}, João M C Teixeira⁵, Jie Li^{3

4}, Teresa Head-Gordon^{3

4

6

7}, Julie D Forman-Kay^{1

2}

¹ Molecular Medicine Program, Hospital for Sick Children, Toronto, Ontario M5G 0A4, Canada.
² Department of Biochemistry, University of Toronto, Toronto, Ontario, M5S 1A8, Canada.
³ Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720-1460, USA.
⁴ Department of Chemistry, University of California, Berkeley, California 94720-1460, USA.
⁵ Department of Biomedical Sciences, University of Padova, Padova 35131, Italy.
⁶ Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720-1462, USA.
⁷ Department of Bioengineering, University of California, Berkeley, California 94720-1762, USA.

No abstract available

Figures

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