RestraintLib 2018.0.2

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Restraints Libraries

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The server generates external scripts with bond length and angle restraints for DNA and RNA oligonucleotides, for the phosphodiester (C-O-PO2-O-C) and monoester (C-O-PO3) groups, and nitrogenous bases: adenine, guanine, thymine, uracil, cytosine, isocytosine, isoguanine, submitted as PDB files. The output restraint file is compatible with Refmac5, SHELXL and phenix.refine.

Please, upload a PDB file.

You may also want to standardize the placement of your macromolecule in the unit cell using ACHESYM

Privacy

All submitted data will be deleted after 96 hours. Each submission gets a unique, random identification number. Accessing the results is only possible with the identification number.

Bugs

To report errors, bugs, unusual behavior of the program, or to get help, please contact me at mkowiel@ump.edu.pl

Citing

To acknowledge the use of the server, please cite:

M.Kowiel, D.Brzezinski, M.Jaskolski (2016).
Conformation-dependent restraints for polynucleotides: I. clustering of the geometry of the phosphodiester group.
Nucleic Acids Res. doi: 10.1093/nar/gkw717. OpenAccess

M.Gilski, J.Zhao, M.Kowiel, D.Brzezinski, D.H.Turner, M.Jaskolski (2019).
Accurate geometrical restraints for Watson–Crick base pairs.
Acta Cryst. B75, https://doi.org/10.1107/S2052520619002002