Data

All published structures and their associated data are openly available. This page provides the complete metadata table and encodings as live exports, plus citation information and the original data sources.

Last updated October 2026 Structures 704 published

Full dataset

The complete published collection, exported live from the database.

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Metadata tableAll structures with identifiers, organism, context and references
704 rows
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All encodingsIUPAC, WURCS, GlyTouCan, SMILES, ST1 (CSDB), GLYCAM and CASPER in one file
704

How to cite

If you use a structure or data from RASM in your work, please cite it as follows.

[Authors]. RASM: a simulation-ready database of bacterial glycan structures. [Journal / preprint], 2026.  doi:10.xxxx/xxxxx
BibTeX
@article{rasm2026,
  title  = {RASM: a simulation-ready database of bacterial glycan structures},
  author = {[Author, A. and others]},
  year   = {2026},
  doi    = {10.xxxx/xxxxx},
  url    = {[Site URL]}
}
Placeholders ([Authors], DOI, site URL) will be finalised on publication. Please also acknowledge the upstream sources below.

Data sources & acknowledgements

RASM is built on these resources; cite them where appropriate.

CSDB Carbohydrate Structure Database: source of raw structures and taxonomy csdb.glycoscience.ru ↗
GLYCAM-Web Force-field-ready 3D structures and parameters glycam.org ↗

The simulations were run with AMBER and GROMACS using the GLYCAM06 force field (the GROMACS topologies converted from the AMBER ones with ParmEd) and, for 414 of the structures, with NAMD using the CHARMM36 carbohydrate force field. Each download holds the representative structure, the topology and the restart files of those runs.