What is Smiles2Monomers
Smiles2Monomers is a software to infer monomeric structure of polymers from their atomic structure.
On this webserver the software is dedicated to peptie-like compounds. To use the software on other kind of polymers, you can download the software under the GNU-AFFERO licence and pre-compute different kind of monomers.
The web server is available for peptide-like compounds in the second tab and provides an interface to upload a compound in the SMILES format to compute the monomeric structure in two different formats :
- Text formats : The structure is downloadable in json and xml
- Image format : The colored picture of the monomeric structure mapped on the atomic structure is directly available in the browser or downloadable into a zip file.
We tested s2m on two manually curated datasets: Norine and the Chemical Component Dictionary (at PDBe or at RCSB PDB). Among 327 nonribomosal peptides of Norine, s2m predicts correctly 230 polymers (see all the results). Among 378 polymers of CCD, s2m predicts correctly 322 polymers (see all the results).